methyl 3-{3-[(3-methylbutyl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[(3-methylbutyl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[(3-methylbutyl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
Compound ID: | F207-0425 |
Compound Name: | methyl 3-{3-[(3-methylbutyl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
Molecular Weight: | 425.51 |
Molecular Formula: | C22 H23 N3 O4 S |
Smiles: | CC(C)CCNC(c1cccc(c1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5958 |
logD: | 3.567 |
logSw: | -3.874 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.407 |
InChI Key: | OLAVNNRYVWIJNJ-UHFFFAOYSA-N |