(R)-3-(7-((2,4-difluorobenzyl)carbamoyl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazin-2-yl)butyl (2,4-difluorobenzyl)carbamate
Basic information
- CAS
2244161-74-6- Standard SMILES
COc1c(=O)c(C(=O)NCc2ccc(F)cc2F)cn2ccn([C@H](C)CCOC(=O)NCc3ccc(F)cc3F)c(=O)c12- InChIKey
BYMYRNZFJKAXSZ-MRXNPFEDSA-N- Molecular formula
- C29H26F4N4O6
- Average molar mass
- 602.5 g/mol
Names & identifiers
- Preferred name
- (R)-3-(7-((2,4-difluorobenzyl)carbamoyl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazin-2-yl)butyl (2,4-difluorobenzyl)carbamate
- IUPAC
- [(3R)-3-[7-[(2,4-difluorophenyl)methylcarbamoyl]-9-methoxy-1,8-dioxopyrido[1,2-a]pyrazin-2-yl]butyl] N-[(2,4-difluorophenyl)methyl]carbamate
- English name
- Carbamic acid, N-[(2,4-difluorophenyl)methyl]-, (3R)-3-[7-[[[(2,4-difluorophenyl)methyl]amino]carbonyl]-1,8-dihydro-9-methoxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazin-2-yl]butyl ester
- Molecular formula
- C29H26F4N4O6
- Molecular weight
- 602.53
Names & synonyms
(R)-3-(7-((2,4-difluorobenzyl)carbamoyl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazin-2-yl)butyl (2,4-difluorobenzyl)carbamate2244161-74-6Fgd6spp2VHDolutegravir Impurity 65Carbamic acid, N-[(2,4-difluorophenyl)methyl]-, (3R)-3-[7-[[[(2,4-difluorophenyl)methyl]amino]carbonyl]-1,8-dihydro-9-methoxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazin-2-yl]butyl ester
Database identifiers
- CAS
2244161-74-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,180
Physicochemical properties
- Boiling point
- 792.2 · 792.2±60.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 10.57 · 10.57±0.20(Predicted)
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Compound notes
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