methyl 3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
Compound ID: | F207-0225 |
Compound Name: | methyl 3-[4-(cyclohexylamino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
Molecular Weight: | 403.5 |
Molecular Formula: | C20 H25 N3 O4 S |
Smiles: | COC(c1ccc2C(N(CCCC(NC3CCCCC3)=O)C(Nc2c1)=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7832 |
logD: | 2.7791 |
logSw: | -3.4399 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.667 |
InChI Key: | SJKXHBSJPJOSKH-UHFFFAOYSA-N |