4-[2-(4-tert-butylphenyl)-7-fluoro-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
Chemical Structure Depiction of
4-[2-(4-tert-butylphenyl)-7-fluoro-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
4-[2-(4-tert-butylphenyl)-7-fluoro-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
Compound characteristics
| Compound ID: | D165-0101 |
| Compound Name: | 4-[2-(4-tert-butylphenyl)-7-fluoro-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C26 H27 F N4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1Nc2ccc(cc2N=C(c2ccc(cc2)N(C)C)N=1)F |
| Stereo: | ACHIRAL |
| logP: | 6.551 |
| logD: | 6.5434 |
| logSw: | -5.9139 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.28 |
| InChI Key: | USLASMAQWGDJQX-UHFFFAOYSA-N |