4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(morpholin-4-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(morpholin-4-yl)propyl]benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(morpholin-4-yl)propyl]benzamide
Compound characteristics
| Compound ID: | C700-0066 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(morpholin-4-yl)propyl]benzamide |
| Molecular Weight: | 541.71 |
| Molecular Formula: | C32 H35 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(NCCCN3CCOCC3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3833 |
| logD: | 4.9951 |
| logSw: | -5.2028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.215 |
| InChI Key: | GSSIPOBCDQMUNP-UHFFFAOYSA-N |