6-(3-{4-[(4-benzyl-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-(3-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidine-1-sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one
6-(3-{4-[(4-benzyl-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: | S517-1567 |
| Compound Name: | 6-(3-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidine-1-sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 578.69 |
| Molecular Formula: | C29 H34 N6 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCCC(C1)C(N1CCC(CC1)Cc1nncn1Cc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3669 |
| logD: | 2.3668 |
| logSw: | -3.1158 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.458 |
| InChI Key: | RACJFPUWKZZFQR-QHCPKHFHSA-N |