N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]valinamide
Chemical Structure Depiction of
N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]valinamide
N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]valinamide
Compound characteristics
| Compound ID: | C562-1726 |
| Compound Name: | N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]valinamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | CC(C)C(C(NCCc1ccc(C)cc1)=O)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7341 |
| logD: | 2.7338 |
| logSw: | -3.4826 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.954 |
| InChI Key: | DTKVAWAJDUSIFJ-FQEVSTJZSA-N |