methyl 3-(3-{[(4-methoxyphenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-{[(4-methoxyphenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(3-{[(4-methoxyphenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0418 |
| Compound Name: | methyl 3-(3-{[(4-methoxyphenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(NCc1ccc(cc1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5517 |
| logD: | 3.523 |
| logSw: | -3.8802 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.837 |
| InChI Key: | BSLRVQINAOGJQG-UHFFFAOYSA-N |