AC1MGYJU

1-butan-2-yl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Also Known As: SR-01000289390-1|A3757/0159325|1-butan-2-yl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione|1-(BUTAN-2-YL)-4-(4-FLUOROPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE|1-(butan-2-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one|1-(butan-2-yl)-4-(4-fluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one|1-(sec-butyl)-4-(4-fluorophenyl)-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one

Molecular Formula	C16H18FN3O2S
Molecular Weight	335.11038 g/mol
LogP	3.0612
Topological Polar Surface Area	66.89 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	335.11038
Monoisotopic Mass	335.11038
Heavy Atoms	23
Complexity	781.6133

Chemical Identifiers

CAS Number	672913-64-3
SMILES	CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)F)C(=O)N1