N-(2,5-dimethylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(2,5-dimethylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2103 |
| Compound Name: | N-(2,5-dimethylphenyl)-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C18 H19 N3 O5 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CCNS(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7986 |
| logD: | 1.765 |
| logSw: | -2.4867 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.707 |
| InChI Key: | YRWQWBOBZZVLQY-UHFFFAOYSA-N |