AC1NWCPT

ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Also Known As: BAS 00665192|AG-690/11665284|ethyl 5-{3-nitrophenyl}-7-methyl-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|SR-01000422207-1|ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ETHYL (2Z)-7-METHYL-5-(3-NITROPHENYL)-3-OXO-2-[(THIOPHEN-2-YL)METHYLIDENE]-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE

Molecular Formula	C21H17N3O5S2
Molecular Weight	455.06097 g/mol
LogP	2.768
Topological Polar Surface Area	103.8 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	455.06097
Monoisotopic Mass	455.06097
Heavy Atoms	31
Complexity	1382.9749

Chemical Identifiers

CAS Number	324073-95-2
SMILES	CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)/C(=C/C4=CC=CS4)/S2)C