3-(4-bromophenyl)-5-oxo-N-pentyl-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
3-(4-bromophenyl)-5-oxo-N-pentyl-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
3-(4-bromophenyl)-5-oxo-N-pentyl-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0790 |
| Compound Name: | 3-(4-bromophenyl)-5-oxo-N-pentyl-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C21 H20 Br N5 O2 |
| Smiles: | CCCCCNC(c1ccc2C(Nc3c(c4ccc(cc4)[Br])nnn3c2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0607 |
| logD: | 4.0606 |
| logSw: | -4.0844 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.757 |
| InChI Key: | SXHWPWFSMKPNTN-UHFFFAOYSA-N |