methyl 2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
methyl 2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate
Compound characteristics
| Compound ID: | G651-0819 |
| Compound Name: | methyl 2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl]benzoate |
| Molecular Weight: | 506.37 |
| Molecular Formula: | C21 H20 Br N3 O5 S |
| Smiles: | COC(c1ccccc1S(N1CCC2(CC1)NC(C(c1ccc(cc1)[Br])=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1434 |
| logD: | 3.1386 |
| logSw: | -3.6467 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.474 |
| InChI Key: | AXEYLBTZWJLRFM-UHFFFAOYSA-N |