N-[2-(4-{[4-(cyclopropylmethyl)-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-(4-{[4-(cyclopropylmethyl)-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-(4-{[4-(cyclopropylmethyl)-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: | S517-1286 |
| Compound Name: | N-[2-(4-{[4-(cyclopropylmethyl)-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: | 502.59 |
| Molecular Formula: | C23 H30 N6 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N(C)CC(N1CCC(CC1)Cc1nncn1CC1CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.125 |
| logD: | 1.1247 |
| logSw: | -2.5192 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.645 |
| InChI Key: | HRGALPAILFEHJF-UHFFFAOYSA-N |