1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one
1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | V031-0039 |
| Compound Name: | 1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one |
| Molecular Weight: | 515.72 |
| Molecular Formula: | C31 H37 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCCN(CC1)C(CN1CCc2c(ccs2)C1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5325 |
| logD: | 5.4922 |
| logSw: | -5.4013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.309 |
| InChI Key: | NSQVHYHIVAKMPU-GDLZYMKVSA-N |