Srr SB3
Basic information
- CAS
187812-79-9- Standard SMILES
CC1CNC(=O)c2ccccc2SSc2ccccc2C(=O)N1- InChIKey
XXCPUEXKFAHQJO-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.0653201
Overview
inhibits late stage of HIV replicative cycle; structure in first source
Names & identifiers
- Preferred name
- Srr SB3
- IUPAC
- 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
Names & synonyms
SRR-SB3Srr Sb3187812-79-9RefChem:185215SRR-SB 3Dibenzo(c,k)(1,2,6,9)dithiadiazacyclododecine-5,10-dione, 6,7,8,9-tetrahydro-7-methyl-Dibenzo[c,k][1,2,6,9]dithiadiazacyclododecine-5,10-dione, 6,7,8,9-tetrahydro-7-methyl-12-methyl-2,3-dithia-11,14-diazatricyclo[14.4.0.04,9]icosa-1(20),4,6,8,16,18-hexaene-10,15-dioneCHEMBL3746975SCHEMBL29624092DTXSID009402557-Methyl-7,8-dihydrodibenzo[c,k][1,2,6,9]dithiadiazacyclododecine-5,10-diol
Database identifiers
- CAS
187812-79-9- PubChem CID
- 456370
- DTXSID
DTXSID00940255- ChEMBL
CHEMBL3746975- Nikkaji
- J795.937K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…