N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | S517-1192 |
| Compound Name: | N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C25 H28 N6 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N(C)CC(N1CCC(CC1)Cc1nncn1c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7151 |
| logD: | 1.7148 |
| logSw: | -2.7 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.581 |
| InChI Key: | ZLMLSUFCPYNBPT-UHFFFAOYSA-N |