4-tert-butylcyclohexyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoate
Chemical Structure Depiction of
4-tert-butylcyclohexyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoate
4-tert-butylcyclohexyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoate
Compound characteristics
| Compound ID: | 8015-8231 |
| Compound Name: | 4-tert-butylcyclohexyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoate |
| Molecular Weight: | 430.61 |
| Molecular Formula: | C24 H34 N2 O3 S |
| Smiles: | CC(C)(C)C1CCC(CC1)OC(CCCC(Nc1c(C#N)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5726 |
| logD: | 4.2594 |
| logSw: | -5.301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.648 |
| InChI Key: | GUYBZSDNFAZOAG-UHFFFAOYSA-N |