1-(4-{[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one
1-(4-{[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V001-6570 |
| Compound Name: | 1-(4-{[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 514.11 |
| Molecular Formula: | C26 H28 Cl N3 O2 S2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(CN1CCc2c(ccs2)C1c1ccc(cc1)[Cl])=O)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.159 |
| logD: | 4.1474 |
| logSw: | -4.7713 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.8 |
| InChI Key: | CLESWMIYSSHFAB-AREMUKBSSA-N |