MLS000049609

ethyl 2-[[2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: AB00345155-10|ethyl 2-[({[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[({[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[[2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|2-[[2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester|2-[[2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester|ethyl 2-(2-((4-methyl-5-(morpholinomethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C21H29N5O4S2
Molecular Weight	479.1661 g/mol
LogP	2.4951
Topological Polar Surface Area	98.58 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	479.1661
Monoisotopic Mass	479.1661
Heavy Atoms	32
Complexity	967.7916

Chemical Identifiers

CAS Number	701239-40-9
SMILES	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C)CN4CCOCC4