methyl 3-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0105 |
| Compound Name: | methyl 3-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C20 H18 Cl N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(NCCc3ccc(cc3)[Cl])=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9026 |
| logD: | 2.9003 |
| logSw: | -3.6837 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.805 |
| InChI Key: | MYKMWJFUSNUGNL-UHFFFAOYSA-N |