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2,1-Benzoxathiin-3-carboxamide, N-[3-(dimethylamino)-1,3-dimethylbutyl]-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxide

2,1-Benzoxathiin-3-carboxamide, N-[3-(dimethylamino)-1,3-dimethylbutyl]-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxide structure

CAS No:
35423-51-9
Formula:
C19H30N2O6S
Chemical Name:
2,1-Benzoxathiin-3-carboxamide, N-[3-(dimethylamino)-1,3-dimethylbutyl]-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxide
Synonyms:
2,1-Benzoxathiin-3-carboxamide,N-[3-(dimethylamino)-1,3-dimethylbutyl]-3,4-dihydro-6,7-dimethoxy-,1,1-dioxide;3-(4′-Dimethylamino-4′-methylpentylcarbamoyl)-6,7-dimethoxy-1-thiaisochroman-1,1-dioxide;Tisocromide;Impavido

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2,1-Benzoxathiin-3-carboxamide, N-[3-(dimethylamino)-1,3-dimethylbutyl]-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxide Basic Attributes

Molecular Weight：

414.52

Exact Mass：

414.52

UNII：

ELK0X0H412

Characteristics

PSA：

103 Å²

Density：

1.200±0.06 g/cm3

Melting Point：

160-162 °C @ Solvent: Isopropanol

Boiling Point：

592.8±50.0 °C(Predicted)

PKA：

13.57±0.20

Drug Information

MeSH Entry Terms：

(4-dimethylamino-4-methylpentyl-2-carbamoyl)-6,7-dimethoxy-1-thioisochroman 1,1-dioxide

Computed Properties

Molecular Weight:414.5
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:414.18245785
Monoisotopic Mass:414.18245785
Topological Polar Surface Area:103
Heavy Atom Count:28
Complexity:645
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,1-Benzoxathiin-3-carboxamide, N-[3-(dimethylamino)-1,3-dimethylbutyl]-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxide

Basic Attributes
Characteristics
Drug Information
Computed Properties
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