3,3-dimethyl-1-{4-[3-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propanoyl]-1,4-diazepan-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[3-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propanoyl]-1,4-diazepan-1-yl}butan-1-one
3,3-dimethyl-1-{4-[3-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propanoyl]-1,4-diazepan-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V022-0480 |
| Compound Name: | 3,3-dimethyl-1-{4-[3-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propanoyl]-1,4-diazepan-1-yl}butan-1-one |
| Molecular Weight: | 467.67 |
| Molecular Formula: | C27 H37 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCCN(CC1)C(CCN1CCc2c(ccs2)C1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4079 |
| logD: | 3.8301 |
| logSw: | -4.2169 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.032 |
| InChI Key: | MROAUEMLTCCGFS-AREMUKBSSA-N |