Kp-1461
heptyl N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate
Molecular Identity
Kp-1461
heptyl N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate
PubChem CID: 51003457
2D Structure
Properties
C16H28N4O6
Molecular Formula
372.42
Molecular Weight
g/mol
372.2009
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
133
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
515
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCOC(=O)NC1=NCN(C(=O)N1)C2CC(C(O2)CO)OIsomeric SMILES
SMILES: CCCCCCCOC(=O)NC1=NCN(C(=O)N1)[C@H]2C[C@@H]([C@H](O2)CO)OSynonyms(20)
KP-1461815588-85-33PEN569TJPKP 1461Carbamic acid, (5-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,4,5,6-tetrahydro-4-oxo-1,3,5-triazin-2-yl)-, heptyl esterCARBAMIC ACID, (5-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-1,4,5,6-TETRAHYDRO-4-OXO-1,3,5-TRIAZIN-2-YL)-, HEPTYL ESTERheptyl N-(5-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-4-oxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)carbamateheptyl N-{5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}carbamateRefChem:794357943540-08-7KP1461N-(5-((2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-4-oxo-1,6-dihydro-1,3,5-triazin-2-yl)nonanamideUNII-3PEN569TJPC7-DHAdCorb3180240
Data from PubChem (NCBI)
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