7-methoxy-4-(4'-methoxy[1,1'-biphenyl]-4-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-methoxy-4-(4'-methoxy[1,1'-biphenyl]-4-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-methoxy-4-(4'-methoxy[1,1'-biphenyl]-4-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0237 |
| Compound Name: | 7-methoxy-4-(4'-methoxy[1,1'-biphenyl]-4-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C26 H21 N3 O2 S |
| Smiles: | COc1ccc(cc1)c1ccc(cc1)C1N=C(c2cccs2)Nc2ccc(cc2N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.449 |
| logD: | 6.449 |
| logSw: | -5.796 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.31 |
| InChI Key: | HJVOCARGHXYVAQ-UHFFFAOYSA-N |