methyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
Compound ID: | K284-0014 |
Compound Name: | methyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
Molecular Weight: | 395.26 |
Molecular Formula: | C17 H12 Cl2 N2 O3 S |
Smiles: | COC(c1ccc2C(N(Cc3ccc(c(c3)[Cl])[Cl])C(Nc2c1)=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8666 |
logD: | 4.8653 |
logSw: | -4.8706 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.492 |
InChI Key: | YWFFFPHAJNZUBM-UHFFFAOYSA-N |