3-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8018-9197 |
| Compound Name: | 3-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C20 H19 Cl N4 O3 S |
| Smiles: | CN1CCN(CC1)c1ccccc1NC(c1c(c2cccc(c2s1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4973 |
| logD: | 4.0224 |
| logSw: | -4.6972 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.087 |
| InChI Key: | IFNXHFVRCREJEH-UHFFFAOYSA-N |