2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8020-1071 |
| Compound Name: | 2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(CSC1NC(c2ccccc2N=1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3858 |
| logD: | 2.2591 |
| logSw: | -3.0528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.76 |
| InChI Key: | WNCZPIMABVNLJT-UHFFFAOYSA-N |