4-[(3-chlorophenyl)methyl]-2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[(3-chlorophenyl)methyl]-2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8950 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 518.08 |
| Molecular Formula: | C29 H28 Cl N3 O2 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3752 |
| logD: | 5.199 |
| logSw: | -5.8648 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.255 |
| InChI Key: | CEZPJMIXRVXWQZ-UHFFFAOYSA-N |