2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | F067-0532 |
Compound Name: | 2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 550.08 |
Molecular Formula: | C29 H28 Cl N3 O4 S |
Smiles: | CC(C)CCNC(c1ccc2C(N(C(=Nc2c1)SCC(c1cccc(c1)[Cl])=O)c1ccc(cc1)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4261 |
logD: | 5.426 |
logSw: | -5.9221 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.477 |
InChI Key: | DSZRUPPVQFACEK-UHFFFAOYSA-N |