4-methylcyclohexyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
4-methylcyclohexyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobutanoate
4-methylcyclohexyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 8016-8406 |
| Compound Name: | 4-methylcyclohexyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 360.47 |
| Molecular Formula: | C19 H24 N2 O3 S |
| Smiles: | CC1CCC(CC1)OC(CCC(Nc1c(C#N)c2CCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0383 |
| logD: | 2.6361 |
| logSw: | -4.1244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.014 |
| InChI Key: | QMHSJCCPTUDVGF-UHFFFAOYSA-N |