3-(4-methoxyphenyl)-10-propanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-10-propanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methoxyphenyl)-10-propanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5236-0208 |
| Compound Name: | 3-(4-methoxyphenyl)-10-propanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C27 H26 N2 O3 S |
| Smiles: | CCC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)Nc2ccccc12)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3803 |
| logD: | 4.9277 |
| logSw: | -5.3916 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.199 |
| InChI Key: | LXJJASRGEPERHA-UHFFFAOYSA-N |