5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0073 |
| Compound Name: | 5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 378.86 |
| Molecular Formula: | C18 H23 Cl N4 O3 |
| Smiles: | CCN1C(C2CCN(CC2)C(c2cc(ccc2OC)[Cl])=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.6627 |
| logD: | 2.6618 |
| logSw: | -3.2988 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.371 |
| InChI Key: | MQESMNPVVSMBOM-UHFFFAOYSA-N |