2-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1-benzothiophen-3(2H)-one
2-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8008-5923 |
| Compound Name: | 2-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | CN1CCN(CC1)c1ccc(/C=C2/C(c3ccccc3S2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4986 |
| logD: | 3.0388 |
| logSw: | -4.0211 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.109 |
| InChI Key: | OBKVEGSZDNHKMF-UHFFFAOYSA-N |