1-[4-(4-nitrobenzoyl)-1,4-diazepan-1-yl]-3-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-one
Chemical Structure Depiction of
1-[4-(4-nitrobenzoyl)-1,4-diazepan-1-yl]-3-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-one
1-[4-(4-nitrobenzoyl)-1,4-diazepan-1-yl]-3-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-one
Compound characteristics
| Compound ID: | V012-4664 |
| Compound Name: | 1-[4-(4-nitrobenzoyl)-1,4-diazepan-1-yl]-3-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-one |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C28 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1ccc(cc1)[N+]([O-])=O)=O)C(CCN1CCc2c(ccs2)C1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8568 |
| logD: | 3.2791 |
| logSw: | -4.0783 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.669 |
| InChI Key: | SRKRABJJJAPPLL-HHHXNRCGSA-N |