AC1NQ1JL

ethyl 2-[[2-[2-[[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: ethyl 2-[[2-[2-[[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|Ethyl 2-{2-[(2-{(Z)-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C26H30BrN3O5S3
Molecular Weight	639.0531 g/mol
LogP	5.2739
Topological Polar Surface Area	98.99 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	639.0531
Monoisotopic Mass	639.0531
Heavy Atoms	38
Complexity	1410.991

Chemical Identifiers

CAS Number	6249-96-3
SMILES	CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CCOC