2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D298-0658 |
| Compound Name: | 2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 390.24 |
| Molecular Formula: | C16 H16 Br N5 O2 |
| Smiles: | COc1ccc(cc1CNc1nc2NC3CCCC=3C(n2n1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.639 |
| logD: | 2.6285 |
| logSw: | -3.1274 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.208 |
| InChI Key: | MJQWWXTTXSHDEH-UHFFFAOYSA-N |