4-[(4-{[2-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one
4-[(4-{[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0897 |
| Compound Name: | 4-[(4-{[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C29 H33 N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)Cc1c(C)oc(c3cc(C)ccc3C)n1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.7996 |
| logD: | 4.6942 |
| logSw: | -4.4877 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.041 |
| InChI Key: | IAYWANFPBVVFOY-UHFFFAOYSA-N |