AC1OABPP

ethyl 2-[[2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: F0653-0334|ethyl 2-(2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[[2-[[(5E)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-({[5-(3-indolyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-ylthio]methyl}carbonylamino)-1-thia-5,6,7,8-tetrahydro-4H-azulene-3-carboxylate|ethyl 2-(2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[[2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[[2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Molecular Formula	C27H31N5O4S2
Molecular Weight	553.18176 g/mol
LogP	5.3107
Topological Polar Surface Area	111.13 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	553.18176
Monoisotopic Mass	553.18176
Heavy Atoms	38
Complexity	1440.615

Chemical Identifiers

CAS Number	852145-13-2
SMILES	CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3CCOC)C4=CNC5=CC=CC=C54