6-{3-[4-(methanesulfonyl)piperazin-1-yl]-3-oxopropyl}-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
6-{3-[4-(methanesulfonyl)piperazin-1-yl]-3-oxopropyl}-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
6-{3-[4-(methanesulfonyl)piperazin-1-yl]-3-oxopropyl}-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | D634-0112 |
| Compound Name: | 6-{3-[4-(methanesulfonyl)piperazin-1-yl]-3-oxopropyl}-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C22 H26 N2 O6 S |
| Smiles: | CC1=C(CCC(N2CCN(CC2)S(C)(=O)=O)=O)C(=O)Oc2cc3c(cc12)c(C)c(C)o3 |
| Stereo: | ACHIRAL |
| logP: | 2.2538 |
| logD: | 2.2538 |
| logSw: | -2.5973 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.511 |
| InChI Key: | ZMJRAVDKZLMVND-UHFFFAOYSA-N |