N-[2-(cyclopropylamino)-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(cyclopropylamino)-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(cyclopropylamino)-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V003-5188 |
| Compound Name: | N-[2-(cyclopropylamino)-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C25 H27 F N4 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCC1C(C(NC1CC1)=O)NC(c1ccc2c(c1)OCO2)=O)C(Nc1ccc(cc1)F)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7972 |
| logD: | 3.7972 |
| logSw: | -4.1453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.487 |
| InChI Key: | OIVPKOVLMRBGAC-QFIPXVFZSA-N |