N-(2-bromophenyl)-N'-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
Chemical Structure Depiction of
N-(2-bromophenyl)-N'-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
N-(2-bromophenyl)-N'-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
Compound characteristics
| Compound ID: | S346-0879 |
| Compound Name: | N-(2-bromophenyl)-N'-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea |
| Molecular Weight: | 412.29 |
| Molecular Formula: | C19 H18 Br N5 O |
| Smiles: | C1CCn2c(C1)nnc2c1ccc(cc1)NC(Nc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7859 |
| logD: | 3.7848 |
| logSw: | -4.1436 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.537 |
| InChI Key: | KKANAABHVMUFKC-UHFFFAOYSA-N |