methyl 4-oxo-3-(4-oxo-4-{[2-(pyrrolidin-1-yl)ethyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(4-oxo-4-{[2-(pyrrolidin-1-yl)ethyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(4-oxo-4-{[2-(pyrrolidin-1-yl)ethyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0268 |
| Compound Name: | methyl 4-oxo-3-(4-oxo-4-{[2-(pyrrolidin-1-yl)ethyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(CCCC(NCCN3CCCC3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0951 |
| logD: | -1.0606 |
| logSw: | -2.3917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.132 |
| InChI Key: | FXUOBKRJZUIMND-UHFFFAOYSA-N |