methyl 2-({4-oxo-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate
Chemical Structure Depiction of
methyl 2-({4-oxo-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate
methyl 2-({4-oxo-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | G856-1329 |
| Compound Name: | methyl 2-({4-oxo-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate |
| Molecular Weight: | 463.43 |
| Molecular Formula: | C21 H16 F3 N3 O4 S |
| Smiles: | CC(C(=O)OC)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6359 |
| logD: | 4.6359 |
| logSw: | -4.4688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.5 |
| InChI Key: | CWQDBSGSXHJKBD-NSHDSACASA-N |