4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-cyclooctylbenzamide
Chemical Structure Depiction of
4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-cyclooctylbenzamide
4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-cyclooctylbenzamide
Compound characteristics
| Compound ID: | F187-0341 |
| Compound Name: | 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-cyclooctylbenzamide |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C26 H28 N4 O2 S |
| Smiles: | C1CCCC(CCC1)NC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1421 |
| logD: | 5.1421 |
| logSw: | -5.2457 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.889 |
| InChI Key: | JTLCMDHWVLZZQE-UHFFFAOYSA-N |