N-[(2-chlorophenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[(2-chlorophenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | K783-5553 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(NCc1ccccc1[Cl])=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6039 |
| logD: | 2.6039 |
| logSw: | -3.2877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.617 |
| InChI Key: | BVXPKSITBSLTDJ-UHFFFAOYSA-N |