N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]leucinamide
Chemical Structure Depiction of
N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]leucinamide
N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]leucinamide
Compound characteristics
| Compound ID: | C562-1188 |
| Compound Name: | N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]leucinamide |
| Molecular Weight: | 463.57 |
| Molecular Formula: | C21 H25 N3 O5 S2 |
| Smiles: | CC(C)CC(C(Nc1cccc(c1)SC)=O)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7469 |
| logD: | 3.7468 |
| logSw: | -4.1103 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.069 |
| InChI Key: | SRZHDFCGARXBDY-KRWDZBQOSA-N |