N-[4-methoxy-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-methoxy-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-[4-methoxy-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | G786-0377 |
| Compound Name: | N-[4-methoxy-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C20 H16 N2 O4 S |
| Smiles: | COc1cccc2c1N(CC#C)/C(=N/C(c1ccc3c(c1)OCCO3)=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.7417 |
| logD: | 2.7417 |
| logSw: | -3.1009 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.119 |
| InChI Key: | LMQZPTPJVDAMSE-UHFFFAOYSA-N |