N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G856-1289 |
| Compound Name: | N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 499.47 |
| Molecular Formula: | C23 H16 F3 N5 O3 S |
| Smiles: | Cc1cc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2cccc(c2)C(F)(F)F)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.2788 |
| logD: | 4.2696 |
| logSw: | -4.3951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.063 |
| InChI Key: | RKIZJZAUZCDXDQ-UHFFFAOYSA-N |