4-cyclopentyl-2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0502 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C23 H32 N4 O3 S |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)S(c2ccc3CCCCc3c2)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.399 |
| logD: | 4.3945 |
| logSw: | -4.2367 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.316 |
| InChI Key: | PHNJKVPEFWQWMR-UHFFFAOYSA-N |