N-{3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}-5-nitrofuran-2-carboxamide
Chemical Structure Depiction of
N-{3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}-5-nitrofuran-2-carboxamide
N-{3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}-5-nitrofuran-2-carboxamide
Compound characteristics
| Compound ID: | 8020-0297 |
| Compound Name: | N-{3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}-5-nitrofuran-2-carboxamide |
| Molecular Weight: | 434.88 |
| Molecular Formula: | C20 H23 Cl N4 O5 |
| Smiles: | CC(C)CC(N1CCN(CC1)c1ccc(cc1[Cl])NC(c1ccc([N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.766 |
| logD: | 3.7138 |
| logSw: | -4.2333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.342 |
| InChI Key: | MHONQHVFJWJBPO-UHFFFAOYSA-N |