4-({2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl}amino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl}amino)-2H-1-benzopyran-2-one
4-({2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl}amino)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | IB07-0665 |
| Compound Name: | 4-({2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl}amino)-2H-1-benzopyran-2-one |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | C(CN1CCN(CC1)C(c1cccc(c1)[Cl])=O)NC1=CC(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.46 |
| logD: | 2.45 |
| logSw: | -3.59 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.27 |
| InChI Key: | APYUVHGDKBQIAC-UHFFFAOYSA-N |