(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
Chemical Structure Depiction of
(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | V027-7733 |
| Compound Name: | (4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(CC(C)C)n1)N1CCN(CC1)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1487 |
| logD: | 5.9422 |
| logSw: | -5.4289 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.036 |
| InChI Key: | UCNPHIICJMMQTG-UHFFFAOYSA-N |