4-({4-[(2,1,3-benzoxadiazol-5-yl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2,1,3-benzoxadiazol-5-yl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
4-({4-[(2,1,3-benzoxadiazol-5-yl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-1144 |
| Compound Name: | 4-({4-[(2,1,3-benzoxadiazol-5-yl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)Cc3ccc4c(c3)non4)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0549 |
| logD: | 3.0371 |
| logSw: | -3.2443 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.238 |
| InChI Key: | PZWAOVQDNNRGGD-UHFFFAOYSA-N |