methyl 2-[2-(4-methoxyphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-methoxyphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
methyl 2-[2-(4-methoxyphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Compound characteristics
| Compound ID: | G651-0813 |
| Compound Name: | methyl 2-[2-(4-methoxyphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | COC(c1ccccc1S(N1CCC2(CC1)NC(C(c1ccc(cc1)OC)=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2918 |
| logD: | 2.2871 |
| logSw: | -3.0072 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.018 |
| InChI Key: | ASFVSKNBOLHIDO-UHFFFAOYSA-N |