methyl 4-{[4-(2-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-2H-tetrazol-5-yl)phenoxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(2-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-2H-tetrazol-5-yl)phenoxy]methyl}benzoate
methyl 4-{[4-(2-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-2H-tetrazol-5-yl)phenoxy]methyl}benzoate
Compound characteristics
| Compound ID: | 8015-0546 |
| Compound Name: | methyl 4-{[4-(2-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-2H-tetrazol-5-yl)phenoxy]methyl}benzoate |
| Molecular Weight: | 501.5 |
| Molecular Formula: | C26 H23 N5 O6 |
| Smiles: | COC(c1ccc(COc2ccc(cc2)c2nnn(CC(Nc3ccc(cc3)C(=O)OC)=O)n2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3947 |
| logD: | 4.3946 |
| logSw: | -4.5046 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.066 |
| InChI Key: | LYXBSAHCZPFPOP-UHFFFAOYSA-N |