2-({5-[(4-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-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 6049-1771 |
| Compound Name: | 2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | Cc1ccc(cc1)NCc1nnc(n1CC=C)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9055 |
| logD: | 3.9055 |
| logSw: | -3.8966 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.948 |
| InChI Key: | DTIVARGBHHGTBI-UHFFFAOYSA-N |