2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F288-0096 |
| Compound Name: | 2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 531.47 |
| Molecular Formula: | C24 H27 Br N4 O3 S |
| Smiles: | CN1CCC2(CC1)N=C(C(=N2)SCC(Nc1cc(cc(c1)OC)OC)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7843 |
| logD: | 1.2955 |
| logSw: | -3.9874 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.794 |
| InChI Key: | GOCDNBKKIKRUKJ-UHFFFAOYSA-N |