ChemDiv1_017998

4-[[4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazinane-6-carbonyl]amino]benzoic acid

Also Known As: ChemDiv1_017998|HMS638C02|AG-205/15155019|A2457/0104271|SR-01000531919-1|4-[({(2Z)-4-oxo-3-(2-phenylethyl)-2-[(2-phenylethyl)imino]-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid|(Z)-4-(4-oxo-3-phenethyl-2-(phenethylimino)-1,3-thiazinane-6-carboxamido)benzoic acid|4-[(4-oxo-3-phenethyl-2-phenethylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid|4-[({4-oxo-3-(2-phenylethyl)-2-[(2-phenylethyl)imino]-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid|4-[(2Z)-4-OXO-3-(2-PHENYLETHYL)-2-[(2-PHENYLETHYL)IMINO]-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID|4-{[4-oxo-2-(3-phenyl-1-azapropylidene)-3-(2-phenylethyl)-1,3-thiazaperhydroin -6-yl]carbonylamino}benzoic acid

Molecular Formula	C28H27N3O4S
Molecular Weight	501.17224 g/mol
LogP	4.4988
Topological Polar Surface Area	99.07 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	501.17224
Monoisotopic Mass	501.17224
Heavy Atoms	36
Complexity	1230.6692

Chemical Identifiers

CAS Number	361995-69-9
SMILES	C1C(SC(=NCCC2=CC=CC=C2)N(C1=O)CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O