3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | IB08-5312 |
| Compound Name: | 3-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C31 H30 N2 O5 |
| Smiles: | CC1=C(CC(N2CCN(CC2)C(c2ccccc2)c2ccccc2)=O)C(=O)Oc2cc(ccc12)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.31 |
| logD: | 4.31 |
| logSw: | -4.93 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 117.87 |
| InChI Key: | GFYNAOQQAAWOGP-UHFFFAOYSA-N |