4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C201-0268 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methoxy-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C31 H30 N4 O5 |
| Smiles: | COc1ccc(cc1)c1nc(c2Cc3cccc(c3Oc2n1)OC)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.4562 |
| logD: | 5.0882 |
| logSw: | -5.8816 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.171 |
| InChI Key: | AFNLUYPEGFHUNE-UHFFFAOYSA-N |