518044-66-1
1-[(1S)-1-PHENYLETHYL]-1H-IMIDAZOLE-5-CARBOXYLIC ACID-2-(3-METHYL-3H-DIAZIRIN-3-YL)ETHYL ESTER
Name
1-[(1S)-1-PHENYLETHYL]-1H-IMIDAZOLE-5-CARBOXYLIC ACID-2-(3-METHYL-3H-DIAZIRIN-3-YL)ETHYL ESTER
Formula
C16 H18 N4 O2
MolWeight
298.344
1Identification
【Name】
1-[(1S)-1-PHENYLETHYL]-1H-IMIDAZOLE-5-CARBOXYLIC ACID-2-(3-METHYL-3H-DIAZIRIN-3-YL)ETHYL ESTER
【CAS】
【MDL】
MFCD22683732
【English Synonyms】
【Formula】
C16 H18 N4 O2
【MolWeight】
298.344
【Inchi】
InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3/t12-/m0/s1
【InChIKey】
InChIKey=DUOHNSBKYJHAMQ-LBPRGKRZSA-N
【SMILES】
C[C@@H](c1ccccc1)n2cncc2C(=O)OCCC3(N=N3)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F