2-(4-chlorophenyl)-N-(3-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(3-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(4-chlorophenyl)-N-(3-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0076 |
| Compound Name: | 2-(4-chlorophenyl)-N-(3-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | COc1cccc(c1)NC(N1CCC2(CC1)N=C(C(=N2)SC)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9821 |
| logD: | 3.9821 |
| logSw: | -4.468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.173 |
| InChI Key: | XXKOYVJOBVVANL-UHFFFAOYSA-N |