N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-8925 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 555.05 |
| Molecular Formula: | C31 H23 Cl N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7103 |
| logD: | 6.7103 |
| logSw: | -6.4586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.598 |
| InChI Key: | QDSKFQUHNMAHJG-UHFFFAOYSA-N |