2-(benzylsulfanyl)-N-(4-methoxyphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(4-methoxyphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(benzylsulfanyl)-N-(4-methoxyphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0451 |
| Compound Name: | 2-(benzylsulfanyl)-N-(4-methoxyphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C28 H28 N4 O2 S |
| Smiles: | COc1ccc(cc1)NC(N1CCC2(CC1)N=C(C(=N2)SCc1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3985 |
| logD: | 4.3984 |
| logSw: | -4.1503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.902 |
| InChI Key: | BIIQAKSXLBOILB-UHFFFAOYSA-N |