N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(3-chlorophenyl)methyl]-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-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-8960 |
| Compound Name: | N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 576.2 |
| Molecular Formula: | C33 H38 Cl N3 O2 S |
| Smiles: | CC(C)CN(CCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.6481 |
| logD: | 6.4651 |
| logSw: | -6.2848 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.558 |
| InChI Key: | YDHSYPXHFAGGJI-UHFFFAOYSA-N |