tert-butyl 2-(benzylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(benzylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-(benzylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-3748 |
| Compound Name: | tert-butyl 2-(benzylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(=N2)SCc1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8989 |
| logD: | 4.8989 |
| logSw: | -4.6441 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.971 |
| InChI Key: | BVAQTNAKGSXFLX-UHFFFAOYSA-N |