4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-8902 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 546.09 |
| Molecular Formula: | C30 H28 Cl N3 O3 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.621 |
| logD: | 4.621 |
| logSw: | -4.7227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.837 |
| InChI Key: | UDVWTEWXSUZOFD-UHFFFAOYSA-N |