2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | C200-3902 |
| Compound Name: | 2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 503.07 |
| Molecular Formula: | C28 H27 Cl N4 O S |
| Smiles: | Cc1ccc(cc1NC(N1CCC2(CC1)N=C(C(=N2)SCc1ccccc1)c1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2693 |
| logD: | 5.2693 |
| logSw: | -5.8141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.66 |
| InChI Key: | POVHIFOHGQGWKH-UHFFFAOYSA-N |