536978-16-2
2-CHLORO-5-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-CHLORO-5-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC22 H17 Cl N2 O4 S
1Identification
【Name】
2-CHLORO-5-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573391
【English Synonyms】
【Formula】
C22 H17 Cl N2 O4 S
【MolWeight】
440.905
【Inchi】
InChI=1S/C22H17ClN2O4S/c23-19-10-9-16(12-18(19)21(27)28)24-22(30)25-20(26)15-6-4-5-14(11-15)13-29-17-7-2-1-3-8-17/h1-12H,13H2,(H,27,28)(H2,24,25,26,30)
【InChIKey】
InChIKey=WODRIMAJEAYGJM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)OCc2cccc(c2)C(=O)NC(=S)Nc3ccc(c(c3)C(=O)O)Cl
【MOL File】
2-CHLORO-5-[[[[3-(PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml