N-{3-[benzyl(butyl)amino]propyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-{3-[benzyl(butyl)amino]propyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-{3-[benzyl(butyl)amino]propyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C700-0489 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C28 H38 N4 O5 S |
| Smiles: | CCCCN(CCCNC(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9761 |
| logD: | 1.357 |
| logSw: | -3.5205 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.398 |
| InChI Key: | HCTNOUFKXBUGFT-UHFFFAOYSA-N |