4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0081 |
| Compound Name: | 4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Smiles: | CCCCOc1ccc(cc1)C1N=C(c2cccs2)Nc2ccc(cc2N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0751 |
| logD: | 6.075 |
| logSw: | -5.4495 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.455 |
| InChI Key: | USHXZBZTUKDSEX-UHFFFAOYSA-N |