3,3-dimethyl-1-(4-{[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-(4-{[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)butan-1-one
3,3-dimethyl-1-(4-{[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V020-5548 |
| Compound Name: | 3,3-dimethyl-1-(4-{[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)butan-1-one |
| Molecular Weight: | 467.67 |
| Molecular Formula: | C27 H37 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2ccsc2CCN1CC(N1CCCN(CC1)C(CC(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6413 |
| logD: | 4.6164 |
| logSw: | -4.3059 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.053 |
| InChI Key: | LYZZGZZNGOVWMO-AREMUKBSSA-N |