N-[4-chloro-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-[4-chloro-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | G786-0380 |
| Compound Name: | N-[4-chloro-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 384.84 |
| Molecular Formula: | C19 H13 Cl N2 O3 S |
| Smiles: | C#CCN1/C(=N/C(c2ccc3c(c2)OCCO3)=O)Sc2cccc(c12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.342 |
| logD: | 3.342 |
| logSw: | -3.729 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.489 |
| InChI Key: | DHEIVYHFFZJENE-UHFFFAOYSA-N |