731011-92-0
ETHYL 2-[(CHLOROACETYL)AMINO]-5-([(2,4-DIMETHYLPHENYL)AMINO]CARBONYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE
NameETHYL 2-[(CHLOROACETYL)AMINO]-5-([(2,4-DIMETHYLPHENYL)AMINO]CARBONYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE
FormulaC19 H21 Cl N2 O4 S
1Identification
【Name】
ETHYL 2-[(CHLOROACETYL)AMINO]-5-([(2,4-DIMETHYLPHENYL)AMINO]CARBONYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD04626504
【English Synonyms】
【Formula】
C19 H21 Cl N2 O4 S
【MolWeight】
408.904
【Inchi】
InChI=1S/C19H21ClN2O4S/c1-5-26-19(25)15-12(4)16(27-18(15)22-14(23)9-20)17(24)21-13-7-6-10(2)8-11(13)3/h6-8H,5,9H2,1-4H3,(H,21,24)(H,22,23)
【InChIKey】
InChIKey=FBNVGQBCZRVXLD-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c(sc1NC(=O)CCl)C(=O)Nc2ccc(cc2C)C)C
【MOL File】
ETHYL 2-[(CHLOROACET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[(CHLOROACETYL)AMINO]-5-([(2,4-DIMETHYLPHENYL)AMINO]CARBONYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE.cml