2-[4-(4-chlorophenyl)-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-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]ethan-1-one
2-[4-(4-chlorophenyl)-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: | V002-7939 |
| Compound Name: | 2-[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 539.05 |
| Molecular Formula: | C27 H27 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1cccc(c1)[N+]([O-])=O)=O)C(CN1CCc2c(ccs2)C1c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1902 |
| logD: | 4.1786 |
| logSw: | -4.8489 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.691 |
| InChI Key: | VTZKYMJBFLTUDR-AREMUKBSSA-N |