4-(3,4-diethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(3,4-diethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
4-(3,4-diethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0110 |
| Compound Name: | 4-(3,4-diethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C26 H26 F N3 O2 |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(c(c1)OCC)OCC)N=C(c1ccc(cc1)F)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.6086 |
| logD: | 5.5967 |
| logSw: | -5.5585 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.896 |
| InChI Key: | NGGFMXQSXYYMMR-UHFFFAOYSA-N |