N-[(4-chlorophenyl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
N-[(4-chlorophenyl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1261 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanamide |
| Molecular Weight: | 436.91 |
| Molecular Formula: | C20 H21 Cl N2 O5 S |
| Smiles: | CC(CC(NCc1ccc(cc1)[Cl])=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1138 |
| logD: | 2.1136 |
| logSw: | -3.0837 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.481 |
| InChI Key: | MEDRNBUKRXZVSC-ZDUSSCGKSA-N |