N-(3-methoxyphenyl)-2-({5-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-({5-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-methoxyphenyl)-2-({5-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-4221 |
| Compound Name: | N-(3-methoxyphenyl)-2-({5-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C21 H22 N4 O2 S2 |
| Smiles: | COc1cccc(c1)NC(CSc1nnc(CSc2ccccc2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0017 |
| logD: | 4.0017 |
| logSw: | -4.1906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.889 |
| InChI Key: | UQZKQMWJBXBVIU-UHFFFAOYSA-N |