2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | C916-0253 |
| Compound Name: | 2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C25 H29 F N4 O S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1C(c2ccc(cc2)F)=NC2(CCN(C)CC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1786 |
| logD: | 1.6898 |
| logSw: | -4.1167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.707 |
| InChI Key: | CUQFBFIXRLPPBO-UHFFFAOYSA-N |