4-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzonitrile
4-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S340-0316 |
| Compound Name: | 4-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzonitrile |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | Cc1ccc(cc1)C1NC2(CCN(CC2)C(c2ccc(C#N)cc2)=O)ON=1 |
| Stereo: | ACHIRAL |
| logP: | 2.4624 |
| logD: | 2.4494 |
| logSw: | -2.7188 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.396 |
| InChI Key: | DJYBOYMIEBCNDN-UHFFFAOYSA-N |