N-(4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl)cyclopropanecarboxamide
Chemical Structure Depiction of
N-(4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl)cyclopropanecarboxamide
N-(4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl)cyclopropanecarboxamide
Compound characteristics
| Compound ID: | D481-3300 |
| Compound Name: | N-(4-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenyl)cyclopropanecarboxamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | C1CC1C(Nc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4882 |
| logD: | 4.4882 |
| logSw: | -4.4603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.476 |
| InChI Key: | PVLWCZXVOWDGRX-UHFFFAOYSA-N |