methyl 3-{[4-(benzylcarbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(benzylcarbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{[4-(benzylcarbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
Compound ID: | F207-0463 |
Compound Name: | methyl 3-{[4-(benzylcarbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
Molecular Weight: | 459.52 |
Molecular Formula: | C25 H21 N3 O4 S |
Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0464 |
logD: | 4.0451 |
logSw: | -4.2638 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.905 |
InChI Key: | SJEMOUDLSFULOG-UHFFFAOYSA-N |