2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F288-0049 |
| Compound Name: | 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C27 H33 F N4 O S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1cccc(c1)F)=O)c1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.4191 |
| logD: | 2.7769 |
| logSw: | -5.3349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.767 |
| InChI Key: | RZLGRYAQHDDOHH-UHFFFAOYSA-N |