2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-1055 |
| Compound Name: | 2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C29 H30 F N3 O2 S |
| Smiles: | C1CCC(C1)N1C(C(C(N2CCN(CC2)c2ccccc2F)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8345 |
| logD: | 4.8345 |
| logSw: | -4.8511 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.865 |
| InChI Key: | YWBALWNGPBVYLE-UHFFFAOYSA-N |