6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | D634-0115 |
| Compound Name: | 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C28 H30 N2 O4 |
| Smiles: | CC1=C(CCC(N2CCN(CC2)Cc2ccccc2)=O)C(=O)Oc2cc3c(cc12)c(C)c(C)o3 |
| Stereo: | ACHIRAL |
| logP: | 4.1923 |
| logD: | 4.1593 |
| logSw: | -4.2955 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.769 |
| InChI Key: | IUSPJYNMYHIRJR-UHFFFAOYSA-N |