N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-[(3-methoxypropyl)amino]-2-oxoethyl)-2-methylbenzamide
Chemical Structure Depiction of
N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-[(3-methoxypropyl)amino]-2-oxoethyl)-2-methylbenzamide
N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-[(3-methoxypropyl)amino]-2-oxoethyl)-2-methylbenzamide
Compound characteristics
| Compound ID: | V031-3034 |
| Compound Name: | N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-[(3-methoxypropyl)amino]-2-oxoethyl)-2-methylbenzamide |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C26 H33 F N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(NC(C1CCN(CC1)C(Nc1ccc(cc1)F)=S)C(NCCCOC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9016 |
| logD: | 3.9015 |
| logSw: | -3.9234 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.771 |
| InChI Key: | FIOGOVVUBWYBHA-QHCPKHFHSA-N |