4-[(4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one
4-[(4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0819 |
| Compound Name: | 4-[(4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C27 H28 Cl N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)Cc1c(C)oc(c3ccc(cc3)[Cl])n1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.6264 |
| logD: | 4.5209 |
| logSw: | -4.747 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.041 |
| InChI Key: | UJQLITSSGZRZDA-UHFFFAOYSA-N |