N-(3-bromophenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-(3-bromophenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
N-(3-bromophenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1209 |
| Compound Name: | N-(3-bromophenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide |
| Molecular Weight: | 453.31 |
| Molecular Formula: | C18 H17 Br N2 O5 S |
| Smiles: | CC(CC(Nc1cccc(c1)[Br])=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3566 |
| logD: | 2.3544 |
| logSw: | -3.0539 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.159 |
| InChI Key: | NEIQRQOYRZPNBO-NSHDSACASA-N |