3-{3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl}-4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl}-4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
3-{3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl}-4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3153 |
| Compound Name: | 3-{3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl}-4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | CC(=C)COc1ccc2C(C)=C(CCC(N3CCN(CC3)c3c4ccccc4sn3)=O)C(=O)Oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 5.9867 |
| logD: | 5.9867 |
| logSw: | -5.7691 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.964 |
| InChI Key: | MSXWEFUGKQFZSL-UHFFFAOYSA-N |