2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethan-1-one
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0011 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C21 H23 N5 O S |
| Smiles: | CN1CCN(CC1)C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6419 |
| logD: | 2.5551 |
| logSw: | -2.7523 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.582 |
| InChI Key: | DTQAKOZOCPRNPN-UHFFFAOYSA-N |