N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1151 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C25 H17 F N4 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9101 |
| logD: | 3.9101 |
| logSw: | -4.3301 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.383 |
| InChI Key: | YHFRAUGMNTXTLD-UHFFFAOYSA-N |