155444-09-0
DIBENZO(C,F)(1,2)THIAZEPINE, 6,11-DIHYDRO-6-METHYL-11-(2-(1-PYRROLIDIN YL)ETHOXY)-, 5,5-DIOXIDE(Z)-2-BUTENEDIOATE (1:1)
Name
DIBENZO(C,F)(1,2)THIAZEPINE, 6,11-DIHYDRO-6-METHYL-11-(2-(1-PYRROLIDIN YL)ETHOXY)-, 5,5-DIOXIDE(Z)-2-BUTENEDIOATE (1:1)
Formula
C20 H24 N2 O3 S . C4 H4 O4
MolWeight
488.558
1Identification
【Name】
DIBENZO(C,F)(1,2)THIAZEPINE, 6,11-DIHYDRO-6-METHYL-11-(2-(1-PYRROLIDIN YL)ETHOXY)-, 5,5-DIOXIDE(Z)-2-BUTENEDIOATE (1:1)
【CAS】
【MDL】
MFCD01752529
【English Synonyms】
【Formula】
C20 H24 N2 O3 S . C4 H4 O4
【MolWeight】
488.558
【Inchi】
InChI=1S/C20H24N2O3S.C4H4O4/c1-21-18-10-4-2-8-16(18)20(25-15-14-22-12-6-7-13-22)17-9-3-5-11-19(17)26(21,23)24;5-3(6)1-2-4(7)8/h2-5,8-11,20H,6-7,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
【InChIKey】
InChIKey=JOPYULOJQGTWIS-BTJKTKAUSA-N
【SMILES】
CN1c2ccccc2C(c3ccccc3S1(=O)=O)OCCN4CCCC4.C(=C\C(=O)O)\C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F