N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K284-5112 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide |
| Molecular Weight: | 566 |
| Molecular Formula: | C26 H23 Cl F3 N3 O4 S |
| Smiles: | C1CCC(CCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.3131 |
| logD: | 6.2933 |
| logSw: | -6.4584 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.509 |
| InChI Key: | BQWSMIHMXBWYEQ-UHFFFAOYSA-N |