7-methoxy-4-[4-(2-methylpropoxy)phenyl]-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-methoxy-4-[4-(2-methylpropoxy)phenyl]-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-methoxy-4-[4-(2-methylpropoxy)phenyl]-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0297 |
| Compound Name: | 7-methoxy-4-[4-(2-methylpropoxy)phenyl]-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Smiles: | CC(C)COc1ccc(cc1)C1N=C(c2cccs2)Nc2ccc(cc2N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.9251 |
| logD: | 5.925 |
| logSw: | -5.6136 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.536 |
| InChI Key: | JVYGCVYPUXMEAF-UHFFFAOYSA-N |