5-{1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidin-4-yl}-4-cyclopentyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidin-4-yl}-4-cyclopentyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidin-4-yl}-4-cyclopentyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0589 |
| Compound Name: | 5-{1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidin-4-yl}-4-cyclopentyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 407.9 |
| Molecular Formula: | C19 H26 Cl N5 O3 |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)C(CCc2cc(no2)[Cl])=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4557 |
| logD: | 2.4483 |
| logSw: | -2.9888 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.649 |
| InChI Key: | GMBLCWUKRJIRNC-UHFFFAOYSA-N |