AC1NZHPI structure

AC1NZHPI

1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one

Also Known As: 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one|1,3-diphenyl-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one|4-(4-(allyloxy)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one|8,10-diphenyl-2-(4-prop-2-enoxyphenyl)-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one

CAS: 489443-13-2
Molecular Formula C27H23N3O2S
Molecular Weight 453.1511 g/mol
LogP 5.8788
Topological Polar Surface Area 56.15 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 453.1511
Monoisotopic Mass 453.1511
Heavy Atoms 33
Complexity 1268.2366

Chemical Identifiers

CAS Number 489443-13-2
SMILES C=CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Product Overview

AC1NZHPI (CAS 489443-13-2), with molecular formula C27H23N3O2S and molecular weight 453.1511 g/mol. IUPAC: 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.

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