1-(azepan-1-yl)-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one
1-(azepan-1-yl)-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one
Compound characteristics
| Compound ID: | C999-0712 |
| Compound Name: | 1-(azepan-1-yl)-3-[2-(2,4-dichlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one |
| Molecular Weight: | 446.38 |
| Molecular Formula: | C22 H25 Cl2 N5 O |
| Smiles: | Cc1c(CCC(N2CCCCCC2)=O)c(C)n2c(n1)nc(c1ccc(cc1[Cl])[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 4.497 |
| logD: | 4.4969 |
| logSw: | -4.6996 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.556 |
| InChI Key: | PJFCFAWMOVALPP-UHFFFAOYSA-N |