4-{3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl}benzonitrile
Chemical Structure Depiction of
4-{3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl}benzonitrile
4-{3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl}benzonitrile
Compound characteristics
| Compound ID: | F208-0717 |
| Compound Name: | 4-{3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl}benzonitrile |
| Molecular Weight: | 458.63 |
| Molecular Formula: | C27 H30 N4 O S |
| Smiles: | COc1ccc(cc1)/N=C1\C(C2(CCCCC2)C(N1c1ccc(C#N)cc1)=S)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7972 |
| logD: | 4.7972 |
| logSw: | -4.4289 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.023 |
| InChI Key: | PMJWAGLWEJKLAC-DEOSSOPVSA-N |