methyl 4-oxo-3-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0148 |
| Compound Name: | methyl 4-oxo-3-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(NCCCc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2843 |
| logD: | 3.2821 |
| logSw: | -3.6509 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.805 |
| InChI Key: | VCQGAZYZXZOKKY-UHFFFAOYSA-N |