4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[(oxolan-2-yl)methyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[(oxolan-2-yl)methyl]piperazine-1-carbothioamide
4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[(oxolan-2-yl)methyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y501-5901 |
| Compound Name: | 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[(oxolan-2-yl)methyl]piperazine-1-carbothioamide |
| Molecular Weight: | 468.98 |
| Molecular Formula: | C19 H21 Cl N4 O4 S2 |
| Smiles: | C1CC(CNC(N2CCN(CC2)C(c2c(c3ccc(cc3s2)[N+]([O-])=O)[Cl])=O)=S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.42 |
| logD: | 3.42 |
| logSw: | -4.2278 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.698 |
| InChI Key: | YGGHNYCKEXFSFK-CYBMUJFWSA-N |