2-(1H-benzimidazol-2-yl)-3-(4-{[4-(2-bromo-4-methylanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(4-{[4-(2-bromo-4-methylanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxyphenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(4-{[4-(2-bromo-4-methylanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8008-2070 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(4-{[4-(2-bromo-4-methylanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 639.51 |
| Molecular Formula: | C31 H27 Br N8 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])Nc1nc(nc(n1)Oc1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc1OC)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.1642 |
| logD: | 7.1632 |
| logSw: | -5.7803 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.083 |
| InChI Key: | HTNJQTIZKMOQMH-UHFFFAOYSA-N |