N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-0976 |
| Compound Name: | N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C18 H19 N3 O5 S |
| Smiles: | Cc1ccccc1NC(CCNS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5514 |
| logD: | 1.5513 |
| logSw: | -2.5826 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.156 |
| InChI Key: | KBVCQZDDTCGYPL-UHFFFAOYSA-N |