N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K284-6146 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide |
| Molecular Weight: | 577.97 |
| Molecular Formula: | C26 H19 Cl F3 N3 O5 S |
| Smiles: | COc1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9404 |
| logD: | 5.9205 |
| logSw: | -6.0842 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.882 |
| InChI Key: | ZSTWSJGHWSLYHK-UHFFFAOYSA-N |