2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | F288-0014 |
| Compound Name: | 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 484.61 |
| Molecular Formula: | C26 H30 F2 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(=NC2(CCN(C)CC2)N=1)SCC(Nc1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9624 |
| logD: | 2.4736 |
| logSw: | -4.5277 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.707 |
| InChI Key: | IQAVFZPEXAERGQ-UHFFFAOYSA-N |