methyl 4-oxo-3-{3-[(2-phenylethyl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{3-[(2-phenylethyl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{3-[(2-phenylethyl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0408 |
| Compound Name: | methyl 4-oxo-3-{3-[(2-phenylethyl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(NCCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5029 |
| logD: | 3.4741 |
| logSw: | -3.8649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.135 |
| InChI Key: | OHURJGROHCNBIA-UHFFFAOYSA-N |