methyl 4-oxo-3-{4-[(2-phenylpropyl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{4-[(2-phenylpropyl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{4-[(2-phenylpropyl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0394 |
| Compound Name: | methyl 4-oxo-3-{4-[(2-phenylpropyl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | CC(CNC(c1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3949 |
| logD: | 4.3735 |
| logSw: | -4.3132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.294 |
| InChI Key: | KVTKWDDWHFTSDP-INIZCTEOSA-N |