N-{3-[(morpholin-4-yl)methyl]phenyl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-{3-[(morpholin-4-yl)methyl]phenyl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-{3-[(morpholin-4-yl)methyl]phenyl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2966 |
| Compound Name: | N-{3-[(morpholin-4-yl)methyl]phenyl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C23 H21 N7 O4 |
| Smiles: | C1COCCN1Cc1cccc(c1)NC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2ncnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5044 |
| logD: | 2.2155 |
| logSw: | -2.9132 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.836 |
| InChI Key: | ZWWUYCCATNQBAV-UHFFFAOYSA-N |