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[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate

[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate structure

CAS No:
131403-82-2
Formula:
C22H20N2O3S
Chemical Name:
[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate
Synonyms:
131403-82-2;5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate;CHEMBL33096;[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate;DTXSID70274332;ZINC3871085;BDBM50041505;J-005996;(E)-6-(4-methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl dimethylcarbamate;6-(4-Methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl dimethylcarbamate;Dimethyl-carbamic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester;N,N-Dimethylcarbamic acid [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester

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[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate Basic Attributes

Molecular Weight：

392.5 g/mol

Exact Mass：

392.11946368 g/mol

DSSTox ID：

DTXSID70274332

Characteristics

PSA：

69 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:392.5
XLogP3:4.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:392.11946368
Monoisotopic Mass:392.11946368
Topological Polar Surface Area:69
Heavy Atom Count:28
Complexity:601
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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