3-{[4-(hydroxymethyl)-2-(pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4-(hydroxymethyl)-2-(pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl}benzonitrile
3-{[4-(hydroxymethyl)-2-(pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S635-2584 |
| Compound Name: | 3-{[4-(hydroxymethyl)-2-(pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]methyl}benzonitrile |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C21 H25 N5 O |
| Smiles: | C1CN(CCC12CN(CC2CO)c1ccncn1)Cc1cccc(C#N)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9169 |
| logD: | 1.7445 |
| logSw: | -1.5905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.21 |
| InChI Key: | TTWVUXUFTJFBHN-LJQANCHMSA-N |