N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Compound characteristics
| Compound ID: | K786-8827 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide |
| Molecular Weight: | 530.71 |
| Molecular Formula: | C26 H34 N4 O4 S2 |
| Smiles: | CCN(CCCNC(CN1C(CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4353 |
| logD: | 3.403 |
| logSw: | -3.9018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.999 |
| InChI Key: | KMZNUBYRLLSPFI-UHFFFAOYSA-N |