1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}ethan-1-one
Chemical Structure Depiction of
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}ethan-1-one
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}ethan-1-one
Compound characteristics
| Compound ID: | G819-0024 |
| Compound Name: | 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}ethan-1-one |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(CS(Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0003 |
| logD: | 2.0003 |
| logSw: | -2.1925 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.697 |
| InChI Key: | SMHHGUMHTQJYTK-UHFFFAOYSA-N |