methyl 2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1377 |
| Compound Name: | methyl 2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0153 |
| logD: | 1.6516 |
| logSw: | -3.6287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.22 |
| InChI Key: | OSTITEVFIOOTIZ-UHFFFAOYSA-N |