4-[7-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
Chemical Structure Depiction of
4-[7-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
4-[7-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
Compound characteristics
| Compound ID: | D165-0090 |
| Compound Name: | 4-[7-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C25 H26 N4 O |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(cc1)N(C)C)N=C(c1ccc(cc1)OC)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.5622 |
| logD: | 5.551 |
| logSw: | -5.4308 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.824 |
| InChI Key: | MDADTWGPTJSIHT-UHFFFAOYSA-N |