N-[4-(morpholine-4-carbonyl)phenyl]-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[4-(morpholine-4-carbonyl)phenyl]-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-[4-(morpholine-4-carbonyl)phenyl]-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2812 |
| Compound Name: | N-[4-(morpholine-4-carbonyl)phenyl]-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 473.45 |
| Molecular Formula: | C23 H19 N7 O5 |
| Smiles: | C1COCCN1C(c1ccc(cc1)NC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2ncnn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9839 |
| logD: | 1.983 |
| logSw: | -2.7572 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.752 |
| InChI Key: | HAMOXNBEUIMKJG-UHFFFAOYSA-N |