2-methoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
2-methoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl thiophene-2-carboxylate
2-methoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 3170-5224 |
| Compound Name: | 2-methoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl thiophene-2-carboxylate |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C32 H28 N2 O5 S |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3ccc(c(c3)OC)OC(c3cccs3)=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4347 |
| logD: | 6.4184 |
| logSw: | -5.7176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.134 |
| InChI Key: | QNYCOARKEOLHSB-UHFFFAOYSA-N |