1-[2-oxo-2-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[2-oxo-2-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]piperidine-4-carboxamide
1-[2-oxo-2-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | 3785-0394 |
| Compound Name: | 1-[2-oxo-2-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]piperidine-4-carboxamide |
| Molecular Weight: | 447.64 |
| Molecular Formula: | C21 H25 N3 O2 S3 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(CN2CCC(CC2)C(N)=O)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.346 |
| logD: | 2.3308 |
| logSw: | -2.9513 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.97 |
| InChI Key: | HKDKNUHYWORIBE-UHFFFAOYSA-N |