Basic information
- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3c(I)cc(-c4noc(CO)n4)cc32)cc1- InChIKey
XXPNJKWTNRHRTC-UHFFFAOYSA-N- Molecular formula
- C26H23F3IN5O4S
- Average molar mass
- 685.5 g/mol
Names & identifiers
- Preferred name
- {3-[6-[(4-tert-Butylphenyl)sulfonyl]-10-iodo-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]-1,2,4-oxadiazol-5-yl}methanol
- IUPAC
- [3-[6-(4-tert-butylphenyl)sulfonyl-10-iodo-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]-1,2,4-oxadiazol-5-yl]methanol
Names & synonyms
{3-[6-[(4-tert-Butylphenyl)sulfonyl]-10-iodo-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]-1,2,4-oxadiazol-5-yl}methanolSCHEMBL1085100
Database identifiers
- PubChem CID
- 59618761
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 988
Related reactions
2 records
Compound notes
Loading…