3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(azepan-1-yl)ethyl]benzamide
Chemical Structure Depiction of
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(azepan-1-yl)ethyl]benzamide
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(azepan-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | F187-0647 |
| Compound Name: | 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(azepan-1-yl)ethyl]benzamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | C1CCCN(CC1)CCNC(c1cccc(c1)N1CC(C(=C1N)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5819 |
| logD: | 2.6052 |
| logSw: | -3.8987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.988 |
| InChI Key: | PZKWBHLBKIEKKD-UHFFFAOYSA-N |