4-[7-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline
Chemical Structure Depiction of
4-[7-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline
4-[7-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline
Compound characteristics
| Compound ID: | D165-0265 |
| Compound Name: | 4-[7-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C24 H23 F N4 O |
| Smiles: | CCOc1ccc2c(c1)N=C(c1ccc(cc1)F)N=C(c1ccc(cc1)N(C)C)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.3784 |
| logD: | 5.3771 |
| logSw: | -5.4506 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.403 |
| InChI Key: | QQHVKEUHJTVITN-UHFFFAOYSA-N |