N-(6-ethoxy-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)leucinamide
Chemical Structure Depiction of
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)leucinamide
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)leucinamide
Compound characteristics
| Compound ID: | C562-1065 |
| Compound Name: | N-(6-ethoxy-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)leucinamide |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C23 H26 N4 O6 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(C(CC(C)C)NS(c1ccc3c(c1)OC(N3C)=O)(=O)=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6782 |
| logD: | 4.6772 |
| logSw: | -4.4307 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.954 |
| InChI Key: | VBLWYNLRPZVQHR-KRWDZBQOSA-N |