methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K287-0298 |
| Compound Name: | methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(CCc3c[nH]c4ccccc34)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7494 |
| logD: | 3.7374 |
| logSw: | -4.011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.341 |
| InChI Key: | JHFSJNWXDXCNRW-UHFFFAOYSA-N |