AC1NXP20

methyl 4-[(Z)-[3-[6-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Also Known As: F1063-1470|(Z)-methyl 4-((3-(6-((4,5-dihydrothiazol-2-yl)amino)-6-oxohexyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoate|METHYL 4-{[(5Z)-3-{5-[(4,5-DIHYDRO-1,3-THIAZOL-2-YL)CARBAMOYL]PENTYL}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE|methyl 4-[(Z)-[3-[6-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate|methyl 4-({4-oxo-3-[5-(N-(1,3-thiazolin-2-yl)carbamoyl)pentyl]-2-thioxo-1,3-th iazolidin-5-ylidene}methyl)benzoate

Molecular Formula	C21H23N3O4S3
Molecular Weight	477.08508 g/mol
LogP	3.4538
Topological Polar Surface Area	88.07 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	477.08508
Monoisotopic Mass	477.08508
Heavy Atoms	31
Complexity	928.30255

Chemical Identifiers

CAS Number	613225-67-5
SMILES	COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)NC3=NCCS3