methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate
methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y041-8862 |
| Compound Name: | methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-5-methyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 362.4 |
| Molecular Formula: | C17 H18 N2 O5 S |
| Smiles: | Cc1c(C(=O)OC)nc(NC(Cc2ccc3c(c2)OCCCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.1977 |
| logD: | 2.0173 |
| logSw: | -2.8884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.261 |
| InChI Key: | OPEDWPASNGSCBL-UHFFFAOYSA-N |