methyl 2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-6764 |
| Compound Name: | methyl 2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C18 H22 N4 O5 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(CCCn1cc(cn1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2944 |
| logD: | -0.5031 |
| logSw: | -2.6398 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.473 |
| InChI Key: | AQAQLMVHWVAOLW-UHFFFAOYSA-N |