4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[benzyl(methyl)carbamoyl]phenyl}-N-cyclohexylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[benzyl(methyl)carbamoyl]phenyl}-N-cyclohexylpiperazine-1-carboxamide
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[benzyl(methyl)carbamoyl]phenyl}-N-cyclohexylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V005-7981 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[benzyl(methyl)carbamoyl]phenyl}-N-cyclohexylpiperazine-1-carboxamide |
| Molecular Weight: | 597.72 |
| Molecular Formula: | C34 H39 N5 O5 |
| Salt: | not_available |
| Smiles: | CN(Cc1ccccc1)C(c1cc(ccc1N1CCN(CC1)C(NC1CCCCC1)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5921 |
| logD: | 5.5911 |
| logSw: | -5.3392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.072 |
| InChI Key: | XHKSGAKQCCKWGU-UHFFFAOYSA-N |