N-(4-chloro-2-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
N-(4-chloro-2-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1058 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C19 H19 Cl N2 O5 S |
| Smiles: | CC(CC(Nc1ccc(cc1C)[Cl])=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4092 |
| logD: | 2.4061 |
| logSw: | -3.1729 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.461 |
| InChI Key: | DUOMZBCIAJSBTQ-LBPRGKRZSA-N |