3-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
3-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]propan-1-one
3-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | V030-9404 |
| Compound Name: | 3-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 532.66 |
| Molecular Formula: | C29 H32 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2ccsc2CCN1CCC(N1CCCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2196 |
| logD: | 3.7895 |
| logSw: | -4.2877 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.669 |
| InChI Key: | LLKTXIDCJHZJNB-MUUNZHRXSA-N |