 Home > Encyclopedia > 12,12-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

12,12-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

12,12-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine structure

CAS No:
672341-96-7
Formula:
C18H18N4O3S2
Chemical Name:
12,12-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Synonyms:
ZINC2447986;STK556149;AKOS005482519;MCULE-2523196953;SR-01000286492;SR-01000286492-1;6,6-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine;672341-96-7

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12,12-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine Basic Attributes

Molecular Weight：

402.5 g/mol

Exact Mass：

402.08203280 g/mol

Characteristics

PSA：

160 Å²

Computed Properties

Molecular Weight:402.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:402.08203280
Monoisotopic Mass:402.08203280
Topological Polar Surface Area:160
Heavy Atom Count:27
Complexity:553
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12,12-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

Basic Attributes
Characteristics
Computed Properties

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