N,3-dimethyl-N-(2-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N,3-dimethyl-N-(2-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N,3-dimethyl-N-(2-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | S428-1348 |
| Compound Name: | N,3-dimethyl-N-(2-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C22 H27 N5 O7 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N(C)CC(N1CCCC1c1nc(C2CCOCC2)no1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3954 |
| logD: | 1.3954 |
| logSw: | -2.4883 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.627 |
| InChI Key: | NOTQKXVBVOIUSU-KRWDZBQOSA-N |