4-({4-[(3-bromophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(3-bromophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
4-({4-[(3-bromophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-1057 |
| Compound Name: | 4-({4-[(3-bromophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 427.34 |
| Molecular Formula: | C22 H23 Br N2 O2 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)Cc3cccc(c3)[Br])=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8452 |
| logD: | 3.4799 |
| logSw: | -3.912 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.9187 |
| InChI Key: | IMOMMVGDAJNVCK-UHFFFAOYSA-N |