877032-57-0
3(4H)-QUINAZOLINEBUTANAMIDE, 2-AMINO-N,GAMMA-DICYCLOHEXYL-N-METHYL-6-PHENOXY-, (GAMMAS)-
Name3(4H)-QUINAZOLINEBUTANAMIDE, 2-AMINO-N,GAMMA-DICYCLOHEXYL-N-METHYL-6-PHENOXY-, (GAMMAS)-
1Identification
【Name】
3(4H)-QUINAZOLINEBUTANAMIDE, 2-AMINO-N,GAMMA-DICYCLOHEXYL-N-METHYL-6-PHENOXY-, (GAMMAS)-
【CAS】
【MDL】
MFCD16038868
【English Synonyms】
【Formula】
C31 H42 N4 O2
【MolWeight】
502.699
【Inchi】
InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1
【InChIKey】
InChIKey=JKQCQYBXDQPJNC-LJAQVGFWSA-N
【SMILES】
CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5
【MOL File】
3(4H)-QUINAZOLINEBUT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3(4H)-QUINAZOLINEBUTANAMIDE, 2-AMINO-N,GAMMA-DICYCLOHEXYL-N-METHYL-6-PHENOXY-, (GAMMAS)-.cml