N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G864-0254 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.91 |
| Molecular Formula: | C22 H16 Cl F3 N4 O2 S |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6974 |
| logD: | 4.6775 |
| logSw: | -5.0505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.431 |
| InChI Key: | VYGGQCIBLCGMDS-UHFFFAOYSA-N |