2-{[3-nitro-4-(propan-2-yl)phenyl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[3-nitro-4-(propan-2-yl)phenyl]methylidene}-1-benzothiophen-3(2H)-one
2-{[3-nitro-4-(propan-2-yl)phenyl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 3736-0303 |
| Compound Name: | 2-{[3-nitro-4-(propan-2-yl)phenyl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 325.38 |
| Molecular Formula: | C18 H15 N O3 S |
| Smiles: | CC(C)c1ccc(/C=C2/C(c3ccccc3S2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9244 |
| logD: | 4.9244 |
| logSw: | -4.6765 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.48 |
| InChI Key: | FHJGEYBZQQDZPN-UHFFFAOYSA-N |