6-[4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S517-1283 |
| Compound Name: | 6-[4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C26 H34 N6 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCC(CC1)C(N1CCC(CC1)Cc1nncn1CC1CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8894 |
| logD: | 1.8891 |
| logSw: | -2.8184 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.048 |
| InChI Key: | OSWKAXLRGMWROP-UHFFFAOYSA-N |