N-(3-ethylphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3-ethylphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(3-ethylphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-1034 |
| Compound Name: | N-(3-ethylphenyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C19 H21 N3 O5 S |
| Smiles: | CCc1cccc(c1)NC(CCNS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.547 |
| logD: | 2.5469 |
| logSw: | -3.0621 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.853 |
| InChI Key: | ZAHVSVUQEYEYNU-UHFFFAOYSA-N |