4-[3-(4-methoxyphenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(4-methoxyphenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(4-methoxyphenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4780-0074 |
| Compound Name: | 4-[3-(4-methoxyphenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C29 H27 N3 O5 |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3cccnc3)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4654 |
| logD: | 0.516 |
| logSw: | -3.3751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.083 |
| InChI Key: | DIHMTWJSIJQTCW-UHFFFAOYSA-N |