ethyl 5-phenyl-2-[2,2,7-trimethyl-1-(naphthalene-1-carbonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-phenyl-2-[2,2,7-trimethyl-1-(naphthalene-1-carbonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
ethyl 5-phenyl-2-[2,2,7-trimethyl-1-(naphthalene-1-carbonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | 3389-0953 |
| Compound Name: | ethyl 5-phenyl-2-[2,2,7-trimethyl-1-(naphthalene-1-carbonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 607.81 |
| Molecular Formula: | C35 H29 N O3 S3 |
| Smiles: | CCOC(C1=C(c2ccccc2)S/C(=C2C(C(C)(C)N(C(c3cccc4ccccc34)=O)c3cc(C)ccc\23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.7595 |
| logD: | 8.7595 |
| logSw: | -6.6809 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 34.645 |
| InChI Key: | PHNPZBGODAUYHQ-UHFFFAOYSA-N |