885594-86-5
CARBAMIC ACID, N-[[1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER
NameCARBAMIC ACID, N-[[1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
CARBAMIC ACID, N-[[1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183596
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H25 N5 O2
【pro_molWeight】
331.418
【Inchi】
InChI=1S/C17H25N5O2/c1-17(2,3)24-16(23)19-10-12-5-8-22(9-6-12)15-13-4-7-18-14(13)20-11-21-15/h4,7,11-12H,5-6,8-10H2,1-3H3,(H,19,23)(H,18,20,21)
【InChIKey】
InChIKey=QNPDJHFTYKKYKG-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCC1CCN(CC1)c2c3cc[nH]c3ncn2
【MOL File】
CARBAMIC ACID, N-[[1….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
CARBAMIC ACID, N-[[1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER.cml