N-{3-[benzyl(methyl)carbamoyl]-4-[4-(2-phenylbutanoyl)piperazin-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)carbamoyl]-4-[4-(2-phenylbutanoyl)piperazin-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-[benzyl(methyl)carbamoyl]-4-[4-(2-phenylbutanoyl)piperazin-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-9083 |
| Compound Name: | N-{3-[benzyl(methyl)carbamoyl]-4-[4-(2-phenylbutanoyl)piperazin-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 618.73 |
| Molecular Formula: | C37 H38 N4 O5 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)c1ccc(cc1C(N(C)Cc1ccccc1)=O)NC(c1ccc2c(c1)OCO2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0832 |
| logD: | 6.0832 |
| logSw: | -5.5341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.203 |
| InChI Key: | CRNKQGXQFCPWDM-SSEXGKCCSA-N |