N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0629 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 456.99 |
| Molecular Formula: | C23 H25 Cl N4 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(N1CCC2(CC1)N=C(C(=N2)SC)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5067 |
| logD: | 4.5067 |
| logSw: | -4.5366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.475 |
| InChI Key: | IIJXGUFRWUIFFU-UHFFFAOYSA-N |