4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0991 |
| Compound Name: | 4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 463.96 |
| Molecular Formula: | C26 H26 Cl N3 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)Cc3c(C)oc(c4ccccc4[Cl])n3)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1013 |
| logD: | 4.079 |
| logSw: | -4.4379 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.041 |
| InChI Key: | BNCAHVKQKBGTAS-UHFFFAOYSA-N |