N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)furan-2-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)furan-2-carboxamide
N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V005-5958 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-(2-{4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino}-2-oxoethyl)furan-2-carboxamide |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C29 H33 F N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCN(CC1)c1ccc(cc1)NC(CN(Cc1ccc(cc1)F)C(c1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8784 |
| logD: | 3.8781 |
| logSw: | -3.9489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.558 |
| InChI Key: | OTLGUQBEBSELOU-UHFFFAOYSA-N |