3,5-dimethyl-6-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
3,5-dimethyl-6-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-7H-furo[3,2-g][1]benzopyran-7-one
3,5-dimethyl-6-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | Y040-4674 |
| Compound Name: | 3,5-dimethyl-6-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | CC1=C(CCC(N2CCN(CCc3ccccn3)CC2)=O)C(=O)Oc2cc3c(cc12)c(C)co3 |
| Stereo: | ACHIRAL |
| logP: | 3.0223 |
| logD: | 2.979 |
| logSw: | -3.1999 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.903 |
| InChI Key: | IEVSMOBSHCDNTR-UHFFFAOYSA-N |