2-{[3-(2-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(2-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[3-(2-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | G856-1323 |
| Compound Name: | 2-{[3-(2-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C22 H16 F N5 O3 S |
| Smiles: | Cc1cc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2ccccc2F)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.4728 |
| logD: | 3.4636 |
| logSw: | -4.1118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.762 |
| InChI Key: | BHZJTVUSMARHOK-UHFFFAOYSA-N |