CBMicro_032137
4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]-N-phenylpiperidine-1-carbothioamide
Also Known As: CBMicro_032137|MixCom6_001801|BAS 01257370|BIM-0032028.P001|SR-01000218985-1|1,3-dimethyl-5-{[({1-[(phenylamino)thioxomethyl](4-piperidyl)}methyl)amino]met hylene}-1,3-dihydropyrimidine-2,4,6-trione|4-((((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)methyl)-N-phenylpiperidine-1-carbothioamide|4-({[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}methyl)-N-phenyl-1-piperidinecarbothioamide|4-({[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}methyl)-N-phenylpiperidine-1-carbothioamide|4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]methyl]-N-phenylpiperidine-1-carbothioamide
| Molecular Formula | C20H25N5O3S |
|---|---|
| Molecular Weight | 415.16782 g/mol |
| LogP | 1.3175 |
| Topological Polar Surface Area | 91.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.16782 |
| Monoisotopic Mass | 415.16782 |
| Heavy Atoms | 29 |
| Complexity | 1020.8927 |
Chemical Identifiers
| CAS Number | 337341-40-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NCC2CCN(CC2)C(=S)NC3=CC=CC=C3)O |
Product Overview
CBMicro_032137 (CAS 337341-40-9), with molecular formula C20H25N5O3S and molecular weight 415.16782 g/mol. IUPAC: 4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]-N-phenylpiperidine-1-carbothioamide.