methyl 4-oxo-3-[3-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[3-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[3-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0079 |
| Compound Name: | methyl 4-oxo-3-[3-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CC(CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6483 |
| logD: | -0.5977 |
| logSw: | -3.2329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.477 |
| InChI Key: | QUPJXKXMOVVQOU-LBPRGKRZSA-N |