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187812-79-9 | Dibenzo[c,k][1,2,6,9]dithiadiazacyclododecine-5,10-dione, 6,7,8,9-tetrahydro-7-methyl-
CAS No: 187812-79-9 Catalog No: AG002GIF MDL No:
Product Description
Catalog Number:
AG002GIF
Chemical Name:
Dibenzo[c,k][1,2,6,9]dithiadiazacyclododecine-5,10-dione, 6,7,8,9-tetrahydro-7-methyl-
CAS Number:
187812-79-9
Molecular Formula:
C17H30N2O2S2
Molecular Weight:
358.5623
IUPAC Name:
12-methyl-2,3-dithia-11,14-diazatricyclo[14.4.0.04,9]icosa-1(20),4,6,8,16,18-hexaene-10,15-dione
InChI:
InChI=1S/C17H16N2O2S2/c1-11-10-18-16(20)12-6-2-4-8-14(12)22-23-15-9-5-3-7-13(15)17(21)19-11/h2-9,11H,10H2,1H3,(H,18,20)(H,19,21)
InChI Key:
XXCPUEXKFAHQJO-UHFFFAOYSA-N
SMILES:
CC1CCC(=O)c2c1ss(=O)c1ccccc1cnccnc2
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.065g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.447g/mol
Monoisotopic Mass:
344.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Anti-HIV activity and mechanism of action of macrocyclic diamide SRR-SB3. | The Journal of pharmacy and pharmacology 19981201 |
| SRR-SB3, a disulfide-containing macrolide that inhibits a late stage of the replicative cycle of human immunodeficiency virus. | Antimicrobial agents and chemotherapy 19970201 |
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