N-({6-[3-(3-chloroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-fluorobenzamide
Chemical Structure Depiction of
N-({6-[3-(3-chloroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-fluorobenzamide
N-({6-[3-(3-chloroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-fluorobenzamide
Compound characteristics
| Compound ID: | C908-0427 |
| Compound Name: | N-({6-[3-(3-chloroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-fluorobenzamide |
| Molecular Weight: | 480.93 |
| Molecular Formula: | C24 H22 Cl F N6 O2 |
| Smiles: | Cc1c(CCC(Nc2cccc(c2)[Cl])=O)c(C)n2c(n1)nc(CNC(c1cccc(c1)F)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.5512 |
| logD: | 3.5507 |
| logSw: | -4.0448 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.658 |
| InChI Key: | JUWHCNUHMMYRHU-UHFFFAOYSA-N |