11-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-3658 |
| Compound Name: | 11-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C26 H26 N2 O3 S |
| Smiles: | CCOc1cc(ccc1OC)C1C2=C(CC(CC2=O)c2cccs2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7253 |
| logD: | 4.7132 |
| logSw: | -4.4948 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.336 |
| InChI Key: | UYDAAXFSHMLTJY-UHFFFAOYSA-N |