N-[3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
N-[3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V015-1776 |
| Compound Name: | N-[3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-1,3-benzothiazol-2(3H)-ylidene]-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C21 H21 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(CN1/C(=N/C(c2cccc(c2)C(F)(F)F)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6965 |
| logD: | 1.3617 |
| logSw: | -3.2577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.709 |
| InChI Key: | UYNVDEMHCUXTPW-UHFFFAOYSA-N |