848501-85-9
1,3,4-THIADIAZOLE-2-CARBOXYLIC ACID, 5-[4-[[(4-BROMO-5-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO]-1-PIPERIDINYL]-, ETHYL ESTER
Name1,3,4-THIADIAZOLE-2-CARBOXYLIC ACID, 5-[4-[[(4-BROMO-5-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO]-1-PIPERIDINYL]-, ETHYL ESTER
pro_formulaC16 H20 Br N5 O3 S
1Identification
【Name】
1,3,4-THIADIAZOLE-2-CARBOXYLIC ACID, 5-[4-[[(4-BROMO-5-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO]-1-PIPERIDINYL]-, ETHYL ESTER
【CAS】
【MDL】
MFCD16660984
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H20 Br N5 O3 S
【pro_molWeight】
442.336
【Inchi】
InChI=1S/C16H20BrN5O3S/c1-3-25-15(24)14-20-21-16(26-14)22-6-4-10(5-7-22)19-13(23)12-8-11(17)9(2)18-12/h8,10,18H,3-7H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=SJMXPFWLFLODOD-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1nnc(s1)N2CCC(CC2)NC(=O)c3cc(c([nH]3)C)Br
【MOL File】
1,3,4-THIADIAZOLE-2-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:8
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,3,4-THIADIAZOLE-2-CARBOXYLIC ACID, 5-[4-[[(4-BROMO-5-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO]-1-PIPERIDINYL]-, ETHYL ESTER.cml