4-(3,4-diethoxyphenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(3,4-diethoxyphenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
4-(3,4-diethoxyphenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0216 |
| Compound Name: | 4-(3,4-diethoxyphenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C24 H25 N3 O2 S |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(c(c1)OCC)OCC)N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.3504 |
| logD: | 5.3479 |
| logSw: | -5.4752 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.914 |
| InChI Key: | UEEPKFJKPBMOMD-UHFFFAOYSA-N |