2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-1-benzopyran-4-one
2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D103-0726 |
| Compound Name: | 2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-7,8-dimethyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 396.87 |
| Molecular Formula: | C22 H21 Cl N2 O3 |
| Smiles: | Cc1ccc2C(C=C(C(N3CCN(CC3)c3cccc(c3)[Cl])=O)Oc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6421 |
| logD: | 4.6421 |
| logSw: | -4.8022 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.65 |
| InChI Key: | JIEMFTOGPSGUHV-UHFFFAOYSA-N |