N-(3-chloro-4-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-(3-chloro-4-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | E557-0427 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-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: | Cc1ccc(cc1[Cl])NC(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6343 |
| logD: | 3.634 |
| logSw: | -3.9094 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.295 |
| InChI Key: | PYBQWFZUSQOCAM-UHFFFAOYSA-N |