6-ethoxy-4-[(4-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethoxy-4-[(4-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
6-ethoxy-4-[(4-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0494 |
| Compound Name: | 6-ethoxy-4-[(4-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C28 H31 N3 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)Cc1c(C)oc(c3ccccc3C)n1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.8126 |
| logD: | 3.8002 |
| logSw: | -3.9202 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.164 |
| InChI Key: | ISPBXJLFKWEUAL-UHFFFAOYSA-N |