N-(6-methyl-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)valinamide
N-(6-methyl-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C562-1794 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)valinamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C21 H22 N4 O5 S2 |
| Smiles: | CC(C)C(C(Nc1nc2ccc(C)cc2s1)=O)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9138 |
| logD: | 3.9121 |
| logSw: | -4.0073 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.552 |
| InChI Key: | CKYYVSCGMDUNDL-SFHVURJKSA-N |