3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Chemical Structure Depiction of
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | F187-0642 |
| Compound Name: | 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Smiles: | CN1CCN(CCCNC(c2cccc(c2)N2CC(C(=C2N)c2nc3ccccc3s2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.0155 |
| logD: | 0.8652 |
| logSw: | -2.9069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.134 |
| InChI Key: | JVZBIXALDWUVNW-UHFFFAOYSA-N |