6-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0593 |
| Compound Name: | 6-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 412.24 |
| Molecular Formula: | C18 H14 Br N5 O2 |
| Smiles: | COc1cccc(c1)n1c2c(C(N(Cc3ccc(cc3)[Br])C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1228 |
| logD: | 3.1228 |
| logSw: | -3.192 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.702 |
| InChI Key: | KIWACPYNWRTQSB-UHFFFAOYSA-N |