N-(4-methylphenyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(4-methylphenyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0313 |
| Compound Name: | N-(4-methylphenyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Smiles: | Cc1ccc(cc1)NC(N1CCC2(CC1)N=C(C(=N2)SC)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6393 |
| logD: | 3.6392 |
| logSw: | -3.7732 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.63 |
| InChI Key: | CRMNPVGMPJLYSE-UHFFFAOYSA-N |