US11453690, Example C112
(1R,2S,5S)-8-[benzyl(methyl)carbamoyl]-3-(diphenylcarbamoyl)-3,8-diazabicyclo[3.2.1]octane-2-carboxylic acid
Molecular Identity
US11453690, Example C112
(1R,2S,5S)-8-[benzyl(methyl)carbamoyl]-3-(diphenylcarbamoyl)-3,8-diazabicyclo[3.2.1]octane-2-carboxylic acid
PubChem CID: 139526658
2D Structure
Properties
C29H30N4O4
Molecular Formula
498.60
Molecular Weight
g/mol
498.2267
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
84.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
801
Complexity
SMILES
Canonical SMILES
SMILES: CN(CC1=CC=CC=C1)C(=O)N2C3CCC2C(N(C3)C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OIsomeric SMILES
SMILES: CN(CC1=CC=CC=C1)C(=O)N2[C@H]3CC[C@@H]2[C@H](N(C3)C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OSynonyms(11)
foberiganTDI05TRD205CHEMBL5807289SCHEMBL21400044GTPL14629BDBM573718US11453690, Example C112compound C112 [US11453690](1R,2S,5S)-8- (benzyl(methyl) carbamoyl)-3- (diphenylcarbamoyl)- 3,8-diazabicyclo [3.2.1]octane-2- carboxylic acid(1R,2S,5S)-8-[benzyl(methyl)carbamoyl]-3-(diphenylcarbamoyl)-3,8-diazabicyclo[3.2.1]octane-2-carboxylic acid
Data from PubChem (NCBI)
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