methyl 3-(4-{[(4-chlorophenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{[(4-chlorophenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{[(4-chlorophenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0239 |
| Compound Name: | methyl 3-(4-{[(4-chlorophenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CCCC(NCc3ccc(cc3)[Cl])=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0336 |
| logD: | 3.0295 |
| logSw: | -3.6712 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.942 |
| InChI Key: | ANCNSIKEJZCNPU-UHFFFAOYSA-N |