N-(2,3-dimethylcyclohexyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-(2,3-dimethylcyclohexyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-1047 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C19 H27 N3 O5 S |
| Smiles: | CC1CCCC(C1C)NC(CCNS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9429 |
| logD: | 1.9428 |
| logSw: | -2.9327 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.291 |
| InChI Key: | IREHZIJXPHLVLZ-UHFFFAOYSA-N |