3-(4-bromophenyl)-8-(2,5-dimethoxybenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(2,5-dimethoxybenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-(2,5-dimethoxybenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
Compound ID: | G651-0649 |
Compound Name: | 3-(4-bromophenyl)-8-(2,5-dimethoxybenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
Molecular Weight: | 508.39 |
Molecular Formula: | C21 H22 Br N3 O5 S |
Smiles: | COc1ccc(c(c1)S(N1CCC2(CC1)NC(C(c1ccc(cc1)[Br])=N2)=O)(=O)=O)OC |
Stereo: | ACHIRAL |
logP: | 3.1007 |
logD: | 3.0959 |
logSw: | -3.6381 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.475 |
InChI Key: | CJOMYTZEMUQCGK-UHFFFAOYSA-N |