N-(4-bromophenyl)-N-methyl-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-N-methyl-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
N-(4-bromophenyl)-N-methyl-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-0469 |
| Compound Name: | N-(4-bromophenyl)-N-methyl-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanamide |
| Molecular Weight: | 453.31 |
| Molecular Formula: | C18 H17 Br N2 O5 S |
| Smiles: | CN(C(CCS(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.3539 |
| logD: | 1.3538 |
| logSw: | -2.5204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.386 |
| InChI Key: | RDEFBNPEUUMQSS-UHFFFAOYSA-N |