5-{1-[3-(dimethylamino)benzoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(dimethylamino)benzoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(dimethylamino)benzoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2141 |
| Compound Name: | 5-{1-[3-(dimethylamino)benzoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | CN(C)c1cccc(c1)C(N1CCC(CC1)C1=NNC(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9199 |
| logD: | 2.8966 |
| logSw: | -3.3076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.589 |
| InChI Key: | LAHPGWQZRRLEHV-UHFFFAOYSA-N |