3-(4-tert-butylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-tert-butylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-6066 |
| Compound Name: | 3-(4-tert-butylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 553.71 |
| Molecular Formula: | C37 H35 N3 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3cccnc3)N(C(/C=C/c3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.856 |
| logD: | 7.6622 |
| logSw: | -5.4505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.883 |
| InChI Key: | HPORFGFFQCQFIT-UHFFFAOYSA-N |