579517-01-4
3-CHLORO-N-CYCLOHEXYL-N-[(5,6-DIHYDRO-6-OXO-1,3-DIOXOLO[4,5-G]QUINOLIN-7-YL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-CYCLOHEXYL-N-[(5,6-DIHYDRO-6-OXO-1,3-DIOXOLO[4,5-G]QUINOLIN-7-YL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C26 H23 Cl N2 O4 S
MolWeight
494.997
1Identification
【Name】
3-CHLORO-N-CYCLOHEXYL-N-[(5,6-DIHYDRO-6-OXO-1,3-DIOXOLO[4,5-G]QUINOLIN-7-YL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740968
【English Synonyms】
【Formula】
C26 H23 Cl N2 O4 S
【MolWeight】
494.997
【Inchi】
InChI=1S/C26H23ClN2O4S/c27-23-18-8-4-5-9-22(18)34-24(23)26(31)29(17-6-2-1-3-7-17)13-16-10-15-11-20-21(33-14-32-20)12-19(15)28-25(16)30/h4-5,8-12,17H,1-3,6-7,13-14H2,(H,28,30)
【InChIKey】
InChIKey=IAERRIXOGGGSFH-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(c(s2)C(=O)N(Cc3cc4cc5c(cc4[nH]c3=O)OCO5)C6CCCCC6)Cl
【MOL File】
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-CHLORO-N-CYCLOHEXYL-N-[(5,6-DIHYDRO-6-OXO-1,3-DIOXOLO[4,5-G]QUINOLIN-7-YL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE.cml
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