AC1NWXE3
3-methyl-1-phenyl-4-(4-phenylmethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 4-(4-(benzyloxy)phenyl)-3-methyl-1-phenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one|10-methyl-8-phenyl-2-(4-phenylmethoxyphenyl)-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one|3-methyl-1-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one|4-[4-(BENZYLOXY)PHENYL]-3-METHYL-1-PHENYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE|4-[4-(benzyloxy)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
| Molecular Formula | C26H23N3O2S |
|---|---|
| Molecular Weight | 441.1511 g/mol |
| LogP | 5.53442 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.1511 |
| Monoisotopic Mass | 441.1511 |
| Heavy Atoms | 32 |
| Complexity | 1221.434 |
Chemical Identifiers
| CAS Number | 693232-81-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
AC1NWXE3 (CAS 693232-81-4), with molecular formula C26H23N3O2S and molecular weight 441.1511 g/mol. IUPAC: 3-methyl-1-phenyl-4-(4-phenylmethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.