2-{[3-(4-chlorophenyl)-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-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | C916-0347 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C22 H21 Cl F2 N4 O S |
| Smiles: | CN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(c(c1)F)F)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7627 |
| logD: | 1.2739 |
| logSw: | -4.3752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.707 |
| InChI Key: | GQYKDAOQQPMKCC-UHFFFAOYSA-N |