methyl 4-oxo-3-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0091 |
| Compound Name: | methyl 4-oxo-3-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(NCCc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3078 |
| logD: | 2.3056 |
| logSw: | -3.2502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.805 |
| InChI Key: | QVWQOMAIMBOVRJ-UHFFFAOYSA-N |