2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]ethan-1-one
2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V031-0008 |
| Compound Name: | 2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C28 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2ccsc2CCN1CC(N1CCCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0264 |
| logD: | 4.0015 |
| logSw: | -4.091 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.691 |
| InChI Key: | LQHRWJSOKWUUMI-HHHXNRCGSA-N |