N-[(4-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[(4-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C534-0446 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | Cc1ccc(CNC(CN2C(COc3ccc(cc23)S(N2CCCC2)(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2453 |
| logD: | 2.2453 |
| logSw: | -2.9748 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.617 |
| InChI Key: | GGUDOXGOIYRJTL-UHFFFAOYSA-N |