4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(dipropylamino)ethyl]benzamide
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(dipropylamino)ethyl]benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(dipropylamino)ethyl]benzamide
Compound characteristics
Compound ID: | C700-0265 |
Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(dipropylamino)ethyl]benzamide |
Molecular Weight: | 541.76 |
Molecular Formula: | C33 H39 N3 O2 S |
Smiles: | CCCN(CCC)CCNC(c1ccc(/C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O |
Stereo: | ACHIRAL |
logP: | 7.1743 |
logD: | 6.026 |
logSw: | -5.5176 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.514 |
InChI Key: | SQHQIPOQFHYTQU-UHFFFAOYSA-N |