1-(4-{[4-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-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: | V018-1145 |
| Compound Name: | 1-(4-{[4-(2-methylphenyl)-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: | 493.69 |
| Molecular Formula: | C27 H31 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2ccsc2CCN1CC(N1CCCN(CC1)C(Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9951 |
| logD: | 3.9702 |
| logSw: | -3.9981 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.8 |
| InChI Key: | WTKMXMFWSPZORH-HHHXNRCGSA-N |