3-(4-bromophenyl)-8-(2,5-dimethylbenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(2,5-dimethylbenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-(2,5-dimethylbenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0647 |
| Compound Name: | 3-(4-bromophenyl)-8-(2,5-dimethylbenzene-1-sulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C21 H22 Br N3 O3 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC2(CC1)NC(C(c1ccc(cc1)[Br])=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0401 |
| logD: | 4.0353 |
| logSw: | -3.986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.3 |
| InChI Key: | BGDCZMXHWDCBRA-UHFFFAOYSA-N |