3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | E667-1017 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C21 H23 Cl N2 O7 S |
| Smiles: | CCOc1ccc(CNC(CCS(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.4894 |
| logD: | 1.4679 |
| logSw: | -2.7919 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.586 |
| InChI Key: | MSFFBLRSUIYFCC-UHFFFAOYSA-N |