N-[(3-methoxyphenyl)methyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)valinamide
N-[(3-methoxyphenyl)methyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C562-1748 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)valinamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | CC(C)C(C(NCc1cccc(c1)OC)=O)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2344 |
| logD: | 2.2338 |
| logSw: | -2.9157 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.657 |
| InChI Key: | JSXWPKOVKZSPRW-IBGZPJMESA-N |