(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
Chemical Structure Depiction of
(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | V027-2361 |
| Compound Name: | (4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6143 |
| logD: | 5.4436 |
| logSw: | -5.348 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.347 |
| InChI Key: | XVTWRJWIADZZPH-UHFFFAOYSA-N |