3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | E511-0725 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C18 H19 Cl N2 O5 S2 |
| Smiles: | Cc1ccsc1CCNC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7262 |
| logD: | 1.7047 |
| logSw: | -2.7225 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.605 |
| InChI Key: | AGNSGQYMXHMWBU-UHFFFAOYSA-N |