N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | Y500-5654 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide |
| Molecular Weight: | 276.4 |
| Molecular Formula: | C15 H20 N2 O S |
| Smiles: | CC(C)CC(Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9444 |
| logD: | 2.4433 |
| logSw: | -4.1098 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.49 |
| InChI Key: | NSJJFIAQYONCHO-UHFFFAOYSA-N |