ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-1,3-thiazole-4-carboxylate
ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-5494 |
| Compound Name: | ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 362.4 |
| Molecular Formula: | C17 H18 N2 O5 S |
| Smiles: | CCOC(c1csc(NC(Cc2ccc3c(c2)OCCCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2222 |
| logD: | 2.2038 |
| logSw: | -2.938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.071 |
| InChI Key: | YDWSKQRGATYGBM-UHFFFAOYSA-N |