AC1NZQPD

4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one

Also Known As: 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one|4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one|4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Molecular Formula	C28H27N3O4S
Molecular Weight	501.17224 g/mol
LogP	5.4776
Topological Polar Surface Area	74.61 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	501.17224
Monoisotopic Mass	501.17224
Heavy Atoms	36
Complexity	1372.8177

Chemical Identifiers

CAS Number	488100-67-0
SMILES	COCC1=C(C(=CC(=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)OC)OC