4-cyclopentyl-2-methyl-5-{1-[4-(propan-2-yl)benzene-1-sulfonyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-{1-[4-(propan-2-yl)benzene-1-sulfonyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-{1-[4-(propan-2-yl)benzene-1-sulfonyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0503 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-{1-[4-(propan-2-yl)benzene-1-sulfonyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C22 H32 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCC(CC1)C1=NN(C)C(N1C1CCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.396 |
| logD: | 4.3915 |
| logSw: | -4.0877 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.395 |
| InChI Key: | JTLKYNXNGPTYCA-UHFFFAOYSA-N |