N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | T501-1382 |
| Compound Name: | N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 538.63 |
| Molecular Formula: | C26 H30 N6 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N(C)CC(N1CCCC(Cc2nncn2Cc2ccccc2)C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6993 |
| logD: | 1.6993 |
| logSw: | -2.6885 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.055 |
| InChI Key: | IPYYAOPFJQKENG-HXUWFJFHSA-N |