76870-16-1
2-(4-((((4-(CHLOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)PHENOXY)-N,N-DICYCLOHEXYLACETAMIDE
Name2-(4-((((4-(CHLOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)PHENOXY)-N,N-DICYCLOHEXYLACETAMIDE
FormulaC28 H36 Cl N3 O2 S
1Identification
【Name】
2-(4-((((4-(CHLOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)PHENOXY)-N,N-DICYCLOHEXYLACETAMIDE
【CAS】
【MDL】
MFCD01733676
【English Synonyms】
【Formula】
C28 H36 Cl N3 O2 S
【MolWeight】
514.13
【Inchi】
InChI=1S/C28H36ClN3O2S/c29-19-21-11-13-22(14-12-21)30-28(35)31-23-15-17-26(18-16-23)34-20-27(33)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h11-18,24-25H,1-10,19-20H2,(H2,30,31,35)
【InChIKey】
InChIKey=ZJPMAJXLLZZWRD-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CCl)NC(=S)Nc2ccc(cc2)OCC(=O)N(C3CCCCC3)C4CCCCC4
【MOL File】
2-(4-((((4-(CHLOROME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-((((4-(CHLOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)PHENOXY)-N,N-DICYCLOHEXYLACETAMIDE.cml