N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Compound characteristics
| Compound ID: | C684-0094 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide |
| Molecular Weight: | 535.61 |
| Molecular Formula: | C30 H29 N7 O3 |
| Smiles: | COc1ccc(CCNC(CCCc2nnc3n2c2ccccc2c2nc(c4ccccc4)nn23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7941 |
| logD: | 2.3814 |
| logSw: | -3.3446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.943 |
| InChI Key: | JTJXCQHGUSAJDZ-UHFFFAOYSA-N |