methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | Y042-5055 |
| Compound Name: | methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C19 H20 N2 O7 S |
| Smiles: | COC(Cc1c(C(=O)OC)sc(NC(Cc2ccc3c(c2)OCCCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6661 |
| logD: | 1.6027 |
| logSw: | -2.5266 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.335 |
| InChI Key: | NIGDRXWXQOGDQZ-UHFFFAOYSA-N |