68Tnb87D2Z
(1S,8S)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
Molecular Identity
68Tnb87D2Z
(1S,8S)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID: 172866248
2D Structure
Properties
C15H20N2
Molecular Formula
228.33
Molecular Weight
g/mol
228.1626
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
25.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
347
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C2CCC1(C3=NN=C(C=C23)C4CC4)C)CIsomeric SMILES
SMILES: C[C@]12CC[C@@H](C1(C)C)C3=CC(=NN=C23)C4CC4Synonyms(7)
RO5027838RO-502783868TNB87D2ZCHEMBL60685595,8-Methanocinnoline, 3-cyclopropyl-5,6,7,8-tetrahydro-8,9,9-trimethyl-, (5R,8S)-(1S,8R)-5-Cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene918873-34-4
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 68Tnb87D2Z
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