2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-fluorophenyl)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-(4-fluorophenyl)acetamide
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F288-0012 |
| Compound Name: | 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 466.62 |
| Molecular Formula: | C26 H31 F N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(=NC2(CCN(C)CC2)N=1)SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6349 |
| logD: | 2.1461 |
| logSw: | -4.2331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.707 |
| InChI Key: | OMTUYXOHXDGMKP-UHFFFAOYSA-N |