939986-55-7
[1-(2-CHLORO-THIAZOL-5-YLMETHYL)-PIPERIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[1-(2-CHLORO-THIAZOL-5-YLMETHYL)-PIPERIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
FormulaC14 H22 Cl N3 O2 S
1Identification
【Name】
[1-(2-CHLORO-THIAZOL-5-YLMETHYL)-PIPERIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607607
【English Synonyms】
【Formula】
C14 H22 Cl N3 O2 S
【MolWeight】
331.866
【Inchi】
InChI=1S/C14H22ClN3O2S/c1-14(2,3)20-13(19)17-10-5-4-6-18(8-10)9-11-7-16-12(15)21-11/h7,10H,4-6,8-9H2,1-3H3,(H,17,19)
【InChIKey】
InChIKey=DGJHYJZGPFLWAI-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCCN(C1)Cc2cnc(s2)Cl
【MOL File】
[1-(2-CHLORO-THIAZOL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[1-(2-CHLORO-THIAZOL-5-YLMETHYL)-PIPERIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER.cml