3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
Compound characteristics
| Compound ID: | E667-1003 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(dimethylamino)-4-methylphenyl]propanamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C20 H22 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1N(C)C)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6421 |
| logD: | 2.6204 |
| logSw: | -3.4649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.926 |
| InChI Key: | SFMLKYYSVGKCPT-UHFFFAOYSA-N |