methyl 3-{[4-(4-nitrophenyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(4-nitrophenyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(4-nitrophenyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y206-1796 |
| Compound Name: | methyl 3-{[4-(4-nitrophenyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C17 H18 N4 O5 S |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9592 |
| logD: | 2.9574 |
| logSw: | -3.4954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.844 |
| InChI Key: | MPYPIRQMVYSROM-UHFFFAOYSA-N |