2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3368-0644 |
| Compound Name: | 2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C21 H18 Br N3 O2 S |
| Smiles: | C1CCc2cc(C#N)c(nc2CC1)SC1CC(N(C1=O)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4511 |
| logD: | 4.4511 |
| logSw: | -4.4541 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.714 |
| InChI Key: | NETFFDSAOZUXNP-GOSISDBHSA-N |