5-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
Chemical Structure Depiction of
5-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
5-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y205-8535 |
| Compound Name: | 5-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid |
| Molecular Weight: | 439.87 |
| Molecular Formula: | C18 H18 Cl N3 O6 S |
| Smiles: | C(CC(O)=O)CC(N1CCN(CC1)C(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.025 |
| logD: | -0.5722 |
| logSw: | -2.9174 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.599 |
| InChI Key: | XKYZVOWOAWNBEY-UHFFFAOYSA-N |