methyl 4-oxo-3-{4-oxo-4-[(2-phenylethyl)amino]butyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{4-oxo-4-[(2-phenylethyl)amino]butyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{4-oxo-4-[(2-phenylethyl)amino]butyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
Compound ID: | F207-0229 |
Compound Name: | methyl 4-oxo-3-{4-oxo-4-[(2-phenylethyl)amino]butyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
Molecular Weight: | 425.51 |
Molecular Formula: | C22 H23 N3 O4 S |
Smiles: | COC(c1ccc2C(N(CCCC(NCCc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2136 |
logD: | 2.2095 |
logSw: | -3.1903 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.783 |
InChI Key: | KJFJYUFHXWPBLG-UHFFFAOYSA-N |