4-[(4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethoxy-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-ethoxy-2H-1-benzopyran-2-one
4-[(4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0606 |
| Compound Name: | 4-[(4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C27 H28 Cl N3 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)Cc1c(C)oc(c3ccc(cc3)[Cl])n1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.1807 |
| logD: | 4.1683 |
| logSw: | -4.553 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.164 |
| InChI Key: | BNIQFAPHTLCOKN-UHFFFAOYSA-N |