methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate
methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y041-8678 |
| Compound Name: | methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | COC(c1c(c2ccccc2)sc(NC(Cc2ccc3c(c2)OCCCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4977 |
| logD: | 3.4971 |
| logSw: | -3.8005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.99 |
| InChI Key: | IWSDFAJQQWCOQJ-UHFFFAOYSA-N |