3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-methylcyclohexyl)propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-methylcyclohexyl)propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-methylcyclohexyl)propanamide
Compound characteristics
| Compound ID: | E511-0636 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2-methylcyclohexyl)propanamide |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C18 H23 Cl N2 O5 S |
| Smiles: | CC1CCCCC1NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2409 |
| logD: | 2.2194 |
| logSw: | -3.0909 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.86 |
| InChI Key: | YFJAQZJEXQHCNY-UHFFFAOYSA-N |