(3-chloro-6-nitro-1-benzothiophen-2-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(3-chloro-6-nitro-1-benzothiophen-2-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
(3-chloro-6-nitro-1-benzothiophen-2-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | Y205-3995 |
| Compound Name: | (3-chloro-6-nitro-1-benzothiophen-2-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 403.84 |
| Molecular Formula: | C17 H14 Cl N5 O3 S |
| Smiles: | C1CN(CCN1C(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8998 |
| logD: | 3.8998 |
| logSw: | -4.5627 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.638 |
| InChI Key: | PJLSVQRXVIFECT-UHFFFAOYSA-N |