methyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
methyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-2625 |
| Compound Name: | methyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | COC(c1c(CCc2ccccc2)sc(NC(c2ccc3c(c2)OCCCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4414 |
| logD: | 4.2827 |
| logSw: | -4.4498 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.203 |
| InChI Key: | NFNZETRLPFWRED-UHFFFAOYSA-N |