ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]benzoate
ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E511-0595 |
| Compound Name: | ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C20 H19 Cl N2 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.43 |
| logD: | 2.4086 |
| logSw: | -3.3337 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.176 |
| InChI Key: | VAWFKWLXWADXHQ-UHFFFAOYSA-N |