1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(10H-phenothiazin-10-yl)propan-1-one
Chemical Structure Depiction of
1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(10H-phenothiazin-10-yl)propan-1-one
1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(10H-phenothiazin-10-yl)propan-1-one
Compound characteristics
| Compound ID: | S517-1476 |
| Compound Name: | 1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(10H-phenothiazin-10-yl)propan-1-one |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C25 H29 N5 O S |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(CCN1c2ccccc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.327 |
| logD: | 4.323 |
| logSw: | -4.2333 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.713 |
| InChI Key: | PPYRZACREXMMFW-UHFFFAOYSA-N |