105219-71-4
6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-2-PROPANAMIDE, 4-(2-CHLOROPHENYL)-N-(2-HYDROXYETHYL)-9-METHYL-
Name
6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-2-PROPANAMIDE, 4-(2-CHLOROPHENYL)-N-(2-HYDROXYETHYL)-9-METHYL-
Formula
C20 H20 Cl N5 O2 S
MolWeight
429.93
1Identification
【Name】
6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-2-PROPANAMIDE, 4-(2-CHLOROPHENYL)-N-(2-HYDROXYETHYL)-9-METHYL-
【CAS】
【MDL】
MFCD01760538
【English Synonyms】
【Formula】
C20 H20 Cl N5 O2 S
【MolWeight】
429.93
【Inchi】
InChI=1S/C20H20ClN5O2S/c1-12-24-25-17-11-23-19(14-4-2-3-5-16(14)21)15-10-13(29-20(15)26(12)17)6-7-18(28)22-8-9-27/h2-5,10,27H,6-9,11H2,1H3,(H,22,28)
【InChIKey】
InChIKey=XCIBCWSIJVNUEI-UHFFFAOYSA-N
【SMILES】
Cc1nnc2n1-c3c(cc(s3)CCC(=O)NCCO)C(=NC2)c4ccccc4Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F