2-[2-(Trifluoromethyl)-6-({4-[1-(trifluoromethyl)cyclopropyl]phenyl}sulfonyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]propan-2-ol

HCID 59618783
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Basic information

Standard SMILES
CC(C)(O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C3(C(F)(F)F)CC3)cc1)Cc1ccc(C(F)(F)F)nc1N2
InChIKey
MZVCBSQXUUTBPJ-UHFFFAOYSA-N
Molecular formula
C26H23F6N3O3S
Average molar mass
571.5 g/mol

Names & identifiers

Preferred name
2-[2-(Trifluoromethyl)-6-({4-[1-(trifluoromethyl)cyclopropyl]phenyl}sulfonyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]propan-2-ol
IUPAC
2-[2-(trifluoromethyl)-6-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]sulfonyl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]propan-2-ol

Names & synonyms

2-[2-(Trifluoromethyl)-6-({4-[1-(trifluoromethyl)cyclopropyl]phenyl}sulfonyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]propan-2-olSCHEMBL1085168

Database identifiers

PubChem CID
59618783

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
90.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
4
Heavy atoms
39

Related reactions

1 records
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Compound notes

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