2-[(3-chloro-2-methylanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
2-[(3-chloro-2-methylanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-[(3-chloro-2-methylanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D433-1850 |
| Compound Name: | 2-[(3-chloro-2-methylanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 329.79 |
| Molecular Formula: | C16 H16 Cl N5 O |
| Smiles: | Cc1c(cccc1[Cl])NCc1nc2NC3CCCC=3C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.856 |
| logD: | 1.774 |
| logSw: | -3.4956 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.736 |
| InChI Key: | IMZXVDSNMIJWAM-UHFFFAOYSA-N |