2-({5-[(3-chloro-2-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Chemical Structure Depiction of
2-({5-[(3-chloro-2-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
2-({5-[(3-chloro-2-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G865-0028 |
| Compound Name: | 2-({5-[(3-chloro-2-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | Cc1c(cccc1[Cl])NCc1nnc(n1CC=C)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5287 |
| logD: | 4.5287 |
| logSw: | -4.5131 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.251 |
| InChI Key: | LUBLJCUSXPRDPX-UHFFFAOYSA-N |