2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(2-chlorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(2-chlorophenyl)methyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(2-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E589-3711 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(2-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 491.99 |
| Molecular Formula: | C23 H26 Cl N3 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(NCc1ccccc1[Cl])=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4303 |
| logD: | 3.4303 |
| logSw: | -3.6708 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.582 |
| InChI Key: | JTPHHFVQHJWOAS-UHFFFAOYSA-N |