N-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
N-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1265 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C21 H23 Cl N2 O5 S |
| Smiles: | CC(CC(NCCc1ccc(cc1)[Cl])=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8885 |
| logD: | 1.8883 |
| logSw: | -2.9574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.322 |
| InChI Key: | MTBVVELPVWTHFO-AWEZNQCLSA-N |