N-[(4-methoxyphenyl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
N-[(4-methoxyphenyl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Compound characteristics
| Compound ID: | C684-0096 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C28 H25 N7 O2 |
| Smiles: | COc1ccc(CNC(CCCc2nnc3n2c2ccccc2c2nc(c4ccccc4)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4847 |
| logD: | 3.072 |
| logSw: | -3.7583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.385 |
| InChI Key: | BLXXEYHORKYXNQ-UHFFFAOYSA-N |