782435-06-7
1-(4-CHLORO-7-(MORPHOLINOSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE
Name1-(4-CHLORO-7-(MORPHOLINOSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE
FormulaC14 H16 Cl N5 O3 S
1Identification
【Name】
1-(4-CHLORO-7-(MORPHOLINOSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE
【CAS】
【MDL】
MFCD11100841
【English Synonyms】
【Formula】
C14 H16 Cl N5 O3 S
【MolWeight】
369.831
【Inchi】
InChI=1S/C14H16ClN5O3S/c15-12-8-18-13(19-14(16)17)11-7-9(1-2-10(11)12)24(21,22)20-3-5-23-6-4-20/h1-2,7-8H,3-6H2,(H4,16,17,18,19)
【InChIKey】
InChIKey=WHNODKWPFVCUOC-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1S(=O)(=O)N3CCOCC3)c(ncc2Cl)NC(=N)N
【MOL File】
1-(4-CHLORO-7-(MORPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-CHLORO-7-(MORPHOLINOSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE.cml