1-(4-{[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)-2-phenoxyethan-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-phenoxyethan-1-one
1-(4-{[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V025-6377 |
| Compound Name: | 1-(4-{[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)-2-phenoxyethan-1-one |
| Molecular Weight: | 503.66 |
| Molecular Formula: | C29 H33 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2ccsc2CCN1CC(N1CCCN(CC1)C(COc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9172 |
| logD: | 3.8923 |
| logSw: | -3.8133 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.281 |
| InChI Key: | JWJTVEXLFUFQBV-GDLZYMKVSA-N |