730951-13-0
3-(5-[(DIMETHYLAMINO)SULFONYL]-1-ETHYL-1H-BENZIMIDAZOL-2-YL)PROPANOIC ACID
Name3-(5-[(DIMETHYLAMINO)SULFONYL]-1-ETHYL-1H-BENZIMIDAZOL-2-YL)PROPANOIC ACID
1Identification
【Name】
3-(5-[(DIMETHYLAMINO)SULFONYL]-1-ETHYL-1H-BENZIMIDAZOL-2-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD04621665
【English Synonyms】
【Formula】
C14 H19 N3 O4 S
【MolWeight】
325.387
【Inchi】
InChI=1S/C14H19N3O4S/c1-4-17-12-6-5-10(22(20,21)16(2)3)9-11(12)15-13(17)7-8-14(18)19/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
【InChIKey】
InChIKey=WTLSVINLKZXZDI-UHFFFAOYSA-N
【SMILES】
CCn1c2ccc(cc2nc1CCC(=O)O)S(=O)(=O)N(C)C
【MOL File】
3-(5-[(DIMETHYLAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(5-[(DIMETHYLAMINO)SULFONYL]-1-ETHYL-1H-BENZIMIDAZOL-2-YL)PROPANOIC ACID.cml