4-(4-ethoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-ethoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
4-(4-ethoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0309 |
| Compound Name: | 4-(4-ethoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | CCOc1ccc(cc1)C1N=C(c2cccs2)Nc2ccc(cc2N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0118 |
| logD: | 5.0117 |
| logSw: | -4.5774 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.161 |
| InChI Key: | DFGRHHQIUDUJQS-UHFFFAOYSA-N |