2-{[3-(4-tert-butylphenyl)-8-ethyl-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-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | F288-0047 |
| Compound Name: | 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 498.64 |
| Molecular Formula: | C27 H32 F2 N4 O S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(c(c1)F)F)=O)c1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.6223 |
| logD: | 2.9801 |
| logSw: | -5.3351 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.767 |
| InChI Key: | AOOSZLBCPZRPOV-UHFFFAOYSA-N |