651047-42-6
TERT-BUTYL 4-(3-OXO-3,4-DIHYDROQUINOXALIN-2-YL)-1,4-DIAZEPANE-1-CARBOXYLATE
NameTERT-BUTYL 4-(3-OXO-3,4-DIHYDROQUINOXALIN-2-YL)-1,4-DIAZEPANE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 4-(3-OXO-3,4-DIHYDROQUINOXALIN-2-YL)-1,4-DIAZEPANE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD11111572
【English Synonyms】
【Formula】
C18 H24 N4 O3
【MolWeight】
344.413
【Inchi】
InChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)22-10-6-9-21(11-12-22)15-16(23)20-14-8-5-4-7-13(14)19-15/h4-5,7-8H,6,9-12H2,1-3H3,(H,20,23)
【InChIKey】
InChIKey=MDNJETHQPKAEMI-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCN(CC1)c2c(=O)[nH]c3ccccc3n2
【MOL File】
TERT-BUTYL 4-(3-OXO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 4-(3-OXO-3,4-DIHYDROQUINOXALIN-2-YL)-1,4-DIAZEPANE-1-CARBOXYLATE.cml