2-[3-({1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[3-({1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[3-({1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4448-1488 |
| Compound Name: | 2-[3-({1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 535.46 |
| Molecular Formula: | C26 H23 Br N4 O2 S |
| Smiles: | Cc1cc(\C=C2/C(N(Cc3ccc(cc3)[Br])C(N2)=O)=O)c(C)n1c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.8502 |
| logD: | 5.8501 |
| logSw: | -5.4773 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.381 |
| InChI Key: | OFRHQKVIPXBIKR-UHFFFAOYSA-N |