2-ethyl-1-{4-[(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetyl]-1,4-diazepan-1-yl}hexan-1-one
Chemical Structure Depiction of
2-ethyl-1-{4-[(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetyl]-1,4-diazepan-1-yl}hexan-1-one
2-ethyl-1-{4-[(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetyl]-1,4-diazepan-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | V017-1901 |
| Compound Name: | 2-ethyl-1-{4-[(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetyl]-1,4-diazepan-1-yl}hexan-1-one |
| Molecular Weight: | 481.7 |
| Molecular Formula: | C28 H39 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCCN(CC1)C(CN1CCc2c(ccs2)C1c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2448 |
| logD: | 5.2046 |
| logSw: | -4.9526 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.581 |
| InChI Key: | PRELZQDZVVFEGS-UHFFFAOYSA-N |