4-[3-(4-methoxyphenyl)-8-methyl-1-oxo-11-(thiophen-2-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)-8-methyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(4-methoxyphenyl)-8-methyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 5236-0273 |
| Compound Name: | 4-[3-(4-methoxyphenyl)-8-methyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C29 H28 N2 O5 S |
| Smiles: | Cc1ccc2c(c1)N(C(C1=C(CC(CC1=O)c1ccc(cc1)OC)N2)c1cccs1)C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7502 |
| logD: | 1.8008 |
| logSw: | -4.4067 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.583 |
| InChI Key: | MLQHAYFWNWAGKS-UHFFFAOYSA-N |