2-(1H-benzimidazol-2-yl)-3-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 6118-1152 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}prop-2-enenitrile |
| Molecular Weight: | 421.82 |
| Molecular Formula: | C21 H13 Cl F N5 O2 |
| Smiles: | COc1cc(/C=C(C#N)/c2nc3ccccc3[nH]2)ccc1Oc1c(cnc(n1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.5144 |
| logD: | 4.5136 |
| logSw: | -5.0715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.363 |
| InChI Key: | BHEMPFOOWLODBG-UHFFFAOYSA-N |