N-(3-chloro-4-methylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(3-chloro-4-methylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2102 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 409.85 |
| Molecular Formula: | C17 H16 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCNS(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1477 |
| logD: | 3.114 |
| logSw: | -3.4922 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.405 |
| InChI Key: | UBEZFMHPRYSEEN-UHFFFAOYSA-N |