propan-2-yl 4-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
propan-2-yl 4-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
propan-2-yl 4-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-4606 |
| Compound Name: | propan-2-yl 4-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C21 H22 N2 O3 S2 |
| Smiles: | CC(C)OC(CC(CSc1c(C#N)c(c2CCCCc2n1)c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5555 |
| logD: | 4.5555 |
| logSw: | -4.5395 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.803 |
| InChI Key: | BMRBXVACDWAPEV-UHFFFAOYSA-N |