N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-8-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine-2-carboxamide
Chemical Structure Depiction of
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-8-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine-2-carboxamide
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-8-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine-2-carboxamide
Compound characteristics
| Compound ID: | CM4435-0015 |
| Compound Name: | N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-8-methyl-5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine-2-carboxamide |
| Molecular Weight: | 346.49 |
| Molecular Formula: | C18 H26 N4 O S |
| Smiles: | CCn1c(C)c(CNC(c2cc3CCCCN(C)c3s2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4038 |
| logD: | 2.4038 |
| logSw: | -2.5898 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.262 |
| InChI Key: | FIIRPNHIZFDQML-UHFFFAOYSA-N |