6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-7H-furo[3,2-g][1]benzopyran-7-one
6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | D634-0057 |
| Compound Name: | 6-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 478.98 |
| Molecular Formula: | C27 H27 Cl N2 O4 |
| Smiles: | CC1=C(CCC(N2CCN(CC2)c2cc(ccc2C)[Cl])=O)C(=O)Oc2cc3c(cc12)c(C)co3 |
| Stereo: | ACHIRAL |
| logP: | 5.382 |
| logD: | 5.3819 |
| logSw: | -5.897 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.8 |
| InChI Key: | RLNIZMPTKJHGDL-UHFFFAOYSA-N |