885595-28-8
CARBAMIC ACID, N-[PHENYL[1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER
NameCARBAMIC ACID, N-[PHENYL[1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
CARBAMIC ACID, N-[PHENYL[1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183595
【English Synonyms】
【Formula】
C23 H29 N5 O2
【MolWeight】
407.515
【Inchi】
InChI=1S/C23H29N5O2/c1-23(2,3)30-22(29)28(18-7-5-4-6-8-18)15-17-10-13-27(14-11-17)21-19-9-12-24-20(19)25-16-26-21/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H,24,25,26)
【InChIKey】
InChIKey=WHZWKLSTZKPTPB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N(CC1CCN(CC1)c2c3cc[nH]c3ncn2)c4ccccc4
【MOL File】
CARBAMIC ACID, N-[PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CARBAMIC ACID, N-[PHENYL[1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINYL]METHYL]-, 1,1-DIMETHYLETHYL ESTER.cml