N-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
N-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8012-2584 |
| Compound Name: | N-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C21 H21 N5 O4 S2 |
| Smiles: | C(c1ccco1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)C(NC(c1cccs1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0308 |
| logD: | 4.0308 |
| logSw: | -4.1992 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.96 |
| InChI Key: | RYXFYCBJJWQDLX-UHFFFAOYSA-N |