2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-oxoethyl thiocyanate
Chemical Structure Depiction of
2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-oxoethyl thiocyanate
2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-oxoethyl thiocyanate
Compound characteristics
| Compound ID: | 3456-1991 |
| Compound Name: | 2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-oxoethyl thiocyanate |
| Molecular Weight: | 384.93 |
| Molecular Formula: | C21 H21 Cl N2 O S |
| Smiles: | CC1(CC(C)(C)N(C(CSC#N)=O)c2ccccc12)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8391 |
| logD: | 4.8391 |
| logSw: | -4.9543 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.5933 |
| InChI Key: | YEPPEZCFSNTELI-NRFANRHFSA-N |