N-(2,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1000 |
| Compound Name: | N-(2,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.5 |
| Molecular Formula: | C25 H18 F2 N4 O3 S |
| Smiles: | COc1cccc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1277 |
| logD: | 4.1237 |
| logSw: | -4.3864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.113 |
| InChI Key: | XMHDRACWOGXYOJ-UHFFFAOYSA-N |