N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-7968 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 624.67 |
| Molecular Formula: | C35 H33 F N4 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(N1CCN(CC1)c1ccc(cc1)NC(CN(Cc1ccc(cc1)F)C(c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3212 |
| logD: | 4.3212 |
| logSw: | -4.2765 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.895 |
| InChI Key: | SQTOJXYCDAZNKO-UHFFFAOYSA-N |