methyl 4-[1-oxo-10-propanoyl-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-oxo-10-propanoyl-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[1-oxo-10-propanoyl-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 8012-6174 |
| Compound Name: | methyl 4-[1-oxo-10-propanoyl-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C28 H26 N2 O4 S |
| Smiles: | CCC(N1C(C2=C(CC(CC2=O)c2cccs2)Nc2ccccc12)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4058 |
| logD: | 5.1509 |
| logSw: | -5.4474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.829 |
| InChI Key: | PNUSRDRSZUNQKB-UHFFFAOYSA-N |