Ce-224535
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
Molecular Identity
Ce-224535
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
PubChem CID: 11547499
2D Structure
Properties
C22H29ClN4O6
Molecular Formula
480.90
Molecular Weight
g/mol
480.1776
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
742
Complexity
SMILES
Canonical SMILES
SMILES: COCC(CN1C(=O)C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O)OIsomeric SMILES
SMILES: COC[C@@H](CN1C(=O)C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O)OSynonyms(20)
CE-224535724424-43-5CE-224,535T8B02RAU3CCE 224,535CE2245352-(4-Chloro-3-(3-(1-hydroxycycloheptyl)propanoyl)phenyl)-4-((2R)-2-hydroxy-3-methoxy-propyl)-1,2,4-triazine-3,5-dioneBenzamide, 2-chloro-5-(4,5-dihydro-4-((2R)-2-hydroxy-3-methoxypropyl)-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-n-((1-hydroxycycloheptyl)methyl)-DTXSID20222742CE224,535RefChem:124155DTXCID501452332-chloro-5-(4-((2R)-2-hydroxy-3-methoxypropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)-N-((1-hydroxycycloheptyl)methyl)benzamideUNII-T8B02RAU3C2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
Data from PubChem (NCBI)
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