3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | E511-0620 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 440.92 |
| Molecular Formula: | C18 H17 Cl N2 O5 S2 |
| Smiles: | CSc1cccc(c1)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2896 |
| logD: | 2.2681 |
| logSw: | -3.2097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.423 |
| InChI Key: | DLZCQMMOTPQEEE-UHFFFAOYSA-N |