methyl 4-oxo-3-{3-oxo-3-[(2-phenylpropyl)amino]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{3-oxo-3-[(2-phenylpropyl)amino]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{3-oxo-3-[(2-phenylpropyl)amino]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0213 |
| Compound Name: | methyl 4-oxo-3-{3-oxo-3-[(2-phenylpropyl)amino]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC(CNC(CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5367 |
| logD: | 3.5316 |
| logSw: | -3.8083 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.942 |
| InChI Key: | VSFFEIZZCNTFRQ-AWEZNQCLSA-N |