AC1NPMDZ

ethyl 2-[[2-[2-[[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: ethyl 2-[[2-[2-[[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|Ethyl 2-{2-[(2-{(Z)-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Molecular Formula	C27H32BrN3O5S3
Molecular Weight	653.0687 g/mol
LogP	5.8081
Topological Polar Surface Area	98.99 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	653.0687
Monoisotopic Mass	653.0687
Heavy Atoms	39
Complexity	1411.5298

Chemical Identifiers

CAS Number	6249-98-5
SMILES	CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC