methyl 3-[(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0473 |
| Compound Name: | methyl 3-[(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C25 H20 Cl N3 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCc3ccc(cc3)[Cl])=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6412 |
| logD: | 4.6398 |
| logSw: | -4.7579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.905 |
| InChI Key: | TVDPMVZUKHIZHN-UHFFFAOYSA-N |