538337-29-0
2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-ISOPROPYL-N-PHENYLACETAMIDE
Name2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-ISOPROPYL-N-PHENYLACETAMIDE
1Identification
【Name】
2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-ISOPROPYL-N-PHENYLACETAMIDE
【CAS】
【MDL】
MFCD04426619
【English Synonyms】
【Formula】
C24 H28 Cl N5 O S
【MolWeight】
470.038
【Inchi】
InChI=1S/C24H28ClN5OS/c1-5-14-29-22(15-26-21-13-9-12-20(25)18(21)4)27-28-24(29)32-16-23(31)30(17(2)3)19-10-7-6-8-11-19/h5-13,17,26H,1,14-16H2,2-4H3
【InChIKey】
InChIKey=IWJYKNJBRBACET-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1Cl)NCc2nnc(n2CC=C)SCC(=O)N(c3ccccc3)C(C)C
【MOL File】
2-([4-ALLYL-5-[(3-CH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-ISOPROPYL-N-PHENYLACETAMIDE.cml