5-(4-{[6-(2,3-dimethylanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]oxy}-3-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(4-{[6-(2,3-dimethylanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]oxy}-3-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(4-{[6-(2,3-dimethylanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]oxy}-3-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8009-2915 |
| Compound Name: | 5-(4-{[6-(2,3-dimethylanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]oxy}-3-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 638.73 |
| Molecular Formula: | C38 H34 N6 O4 |
| Smiles: | Cc1cccc(c1C)Nc1c(nc2c(n1)non2)Oc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.8637 |
| logD: | 8.8637 |
| logSw: | -6.9472 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.212 |
| InChI Key: | RPSZCQKBKATOMM-XIFFEERXSA-N |