2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one
2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V025-3292 |
| Compound Name: | 2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[4-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 555.73 |
| Molecular Formula: | C29 H34 F N3 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N1CCCN(CC1)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3218 |
| logD: | 5.2993 |
| logSw: | -5.2392 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.372 |
| InChI Key: | MRNSFGQFVXLCQD-MUUNZHRXSA-N |