6-chloro-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6-chloro-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H-1-benzopyran-4-one
6-chloro-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D103-0231 |
| Compound Name: | 6-chloro-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 398.84 |
| Molecular Formula: | C21 H19 Cl N2 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8581 |
| logD: | 3.858 |
| logSw: | -4.4424 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.509 |
| InChI Key: | PVIVMKRJGYBQDI-UHFFFAOYSA-N |