N-(3-chlorophenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C916-0496 |
| Compound Name: | N-(3-chlorophenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C22 H22 Cl F N4 O S |
| Smiles: | CN1CCC2(CC1)N=C(C(=N2)SCC(Nc1cccc(c1)[Cl])=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.5939 |
| logD: | 1.1052 |
| logSw: | -4.0377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.707 |
| InChI Key: | FKRULEOPDLKVGR-UHFFFAOYSA-N |