N-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1384 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C31 H24 F N3 O3 S |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2nc3ccccc3s2)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2975 |
| logD: | 6.2952 |
| logSw: | -5.5732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.048 |
| InChI Key: | LUCKYSOVXSVUHP-UHFFFAOYSA-N |