5-[(4-bromoanilino)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-bromoanilino)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-bromoanilino)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0387 |
| Compound Name: | 5-[(4-bromoanilino)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 485.34 |
| Molecular Formula: | C21 H21 Br N6 O3 |
| Smiles: | COc1ccc(CNc2nc3NC(CNc4ccc(cc4)[Br])=CC(n3n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1363 |
| logD: | 2.8505 |
| logSw: | -3.3997 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.476 |
| InChI Key: | IMNNSGQUNDUZGQ-UHFFFAOYSA-N |