N-{2-[bis(2-methylpropyl)amino]ethyl}-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Chemical Structure Depiction of
N-{2-[bis(2-methylpropyl)amino]ethyl}-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
N-{2-[bis(2-methylpropyl)amino]ethyl}-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Compound characteristics
Compound ID: | K788-3007 |
Compound Name: | N-{2-[bis(2-methylpropyl)amino]ethyl}-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide |
Molecular Weight: | 451.63 |
Molecular Formula: | C26 H33 N3 O2 S |
Smiles: | CC(C)CN(CCNC(c1ccc(\C=C2/C(Nc3ccccc3S2)=O)cc1)=O)CC(C)C |
Stereo: | ACHIRAL |
logP: | 4.8956 |
logD: | 3.7125 |
logSw: | -4.4086 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 53.333 |
InChI Key: | XQWJRLVCVORNKQ-UHFFFAOYSA-N |