7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | 5697-0830 |
| Compound Name: | 7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 468.35 |
| Molecular Formula: | C22 H22 Br N5 O2 |
| Smiles: | CC1=C(C(c2ccc(cc2)[Br])n2c(N1)nc(CCCO)n2)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4054 |
| logD: | 3.385 |
| logSw: | -3.5186 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.786 |
| InChI Key: | QYSVFPALUBBMBS-FQEVSTJZSA-N |