84923-01-3
5-PYRIMIDINECARBOXAMIDE, 4-ETHOXY-N-(8-(PHENYLMETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)-, EXO-
Name5-PYRIMIDINECARBOXAMIDE, 4-ETHOXY-N-(8-(PHENYLMETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)-, EXO-
1Identification
【Name】
5-PYRIMIDINECARBOXAMIDE, 4-ETHOXY-N-(8-(PHENYLMETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)-, EXO-
【CAS】
【MDL】
MFCD01689744
【English Synonyms】
【Formula】
C21 H26 N4 O2
【MolWeight】
366.462
【Inchi】
InChI=1S/C21H26N4O2/c1-2-27-21-19(12-22-14-23-21)20(26)24-16-10-17-8-9-18(11-16)25(17)13-15-6-4-3-5-7-15/h3-7,12,14,16-18H,2,8-11,13H2,1H3,(H,24,26)/t16-,17-,18+
【InChIKey】
InChIKey=QGWBYBOXURFPRS-NNZMDNLPSA-N
【SMILES】
CCOc1c(cncn1)C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc4ccccc4
【MOL File】
5-PYRIMIDINECARBOXAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-PYRIMIDINECARBOXAMIDE, 4-ETHOXY-N-(8-(PHENYLMETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)-, EXO-.cml