N-cyclopentyl-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-cyclopentyl-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-cyclopentyl-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | 8014-8747 |
| Compound Name: | N-cyclopentyl-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | C1CCC(C1)NC(N1CCc2ccccc2C1CNC=C1C(CC(CC1=O)c1ccco1)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2394 |
| logD: | 4.238 |
| logSw: | -4.1862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.604 |
| InChI Key: | DCJYWPLJZNQKNK-BVHINDKJSA-N |