N-cyclopentyl-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-cyclopentyl-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-cyclopentyl-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | 6208-0247 |
| Compound Name: | N-cyclopentyl-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 505.65 |
| Molecular Formula: | C29 H32 F N3 O2 S |
| Smiles: | C1CCC(C1)NC(N1CCc2ccccc2C1CNC=C1C(CC(CC1=O)c1ccc(cc1)F)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1503 |
| logD: | 5.1489 |
| logSw: | -5.2295 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.026 |
| InChI Key: | ODVNZTUYZKZCMW-UQTORGHUSA-N |