5-{1-[(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-4-cyclopentyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-4-cyclopentyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-4-cyclopentyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0462 |
| Compound Name: | 5-{1-[(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-4-cyclopentyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 432.95 |
| Molecular Formula: | C22 H29 Cl N4 O3 |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)C(Cc2ccc(c(c2)[Cl])OC)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4072 |
| logD: | 3.3998 |
| logSw: | -3.7395 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.435 |
| InChI Key: | DTZSTKCCZOVVEL-UHFFFAOYSA-N |