6-ethyl-4-[(4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethyl-4-[(4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
6-ethyl-4-[(4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0837 |
| Compound Name: | 6-ethyl-4-[(4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C28 H31 N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)Cc1c(C)oc(c3ccc(C)cc3)n1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.455 |
| logD: | 4.3496 |
| logSw: | -4.2437 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.041 |
| InChI Key: | ULAZJDQQOJEKRU-UHFFFAOYSA-N |