C27H29N3O2S2 structure

C27H29N3O2S2

N-(1-adamantyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide

Also Known As: UPCMLD0ENAT0513-7575:001|AF-399/15031079|SR-01000477057-1|F0863-0311|N-((3s,5s,7s)-adamantan-1-yl)-2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide|N-(adamantan-1-yl)-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide|N-(1-Adamantyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide|N-(1-adamantyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide|N-(1-adamantyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetamide

CAS: 314261-41-1
Molecular Formula C27H29N3O2S2
Molecular Weight 491.1701 g/mol
LogP 5.113
Topological Polar Surface Area 63.99 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 491.1701
Monoisotopic Mass 491.1701
Heavy Atoms 34
Complexity 1308.1151

Chemical Identifiers

CAS Number 314261-41-1
SMILES C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Product Overview

C27H29N3O2S2 (CAS 314261-41-1), with molecular formula C27H29N3O2S2 and molecular weight 491.1701 g/mol. IUPAC: N-(1-adamantyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.

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