4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
Compound ID: | D165-0329 |
Compound Name: | 4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
Molecular Weight: | 389.52 |
Molecular Formula: | C23 H23 N3 O S |
Smiles: | CCOc1ccc(cc1)C1N=C(c2cccs2)Nc2ccc(cc2N=1)C(C)C |
Stereo: | ACHIRAL |
logP: | 6.0731 |
logD: | 6.0725 |
logSw: | -5.5741 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.617 |
InChI Key: | OSDNWKVBPNENNY-UHFFFAOYSA-N |