4-[2-(4-tert-butylphenyl)-7-methoxy-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
Chemical Structure Depiction of
4-[2-(4-tert-butylphenyl)-7-methoxy-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
4-[2-(4-tert-butylphenyl)-7-methoxy-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
Compound characteristics
| Compound ID: | D165-0249 |
| Compound Name: | 4-[2-(4-tert-butylphenyl)-7-methoxy-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C27 H30 N4 O |
| Smiles: | CC(C)(C)c1ccc(cc1)C1Nc2ccc(cc2N=C(c2ccc(cc2)N(C)C)N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.7564 |
| logD: | 6.746 |
| logSw: | -5.8217 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.824 |
| InChI Key: | NYCYYUMFBDMSKG-UHFFFAOYSA-N |