Formula |
C28H35N5O2 |
IUPAC Name |
8-[(1r,4s,6s)-6-bicyclo[2.2.1]heptanyl]-2-[[4-[4-(3-hydroxypropyl)piperidin-1-yl]phenyl]amino]pyrido[6,5-d]pyrimidin-7-one |
Molecular Mass |
473.610 g·mol−1 |
Heat of Formation |
-96.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.09 ± 1.08 D |
Volume |
579.94 Å 3 |
Surface Area |
480.04 Å 2 |
HOMO Energy |
-8.27 ± 0.55 eV |
LUMO Energy |
2.09 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[[4-[4-(3-hydroxypropyl)-1-piperidinyl]phenyl]amino]-8-[(1r,2s,4s)-2-norbornanyl]-7-pyrido[6,5-d]pyrimidinone
- 2-[[4-[4-(3-hydroxypropyl)-1-piperidyl]phenyl]amino]-8-[(1r,2s,4s)-norbornan-2-yl]pyrido[6,5-d]pyrimidin-7-one
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InChIKey |
PETCVZZPKYJZAU-BKSPAHHJSA-N |
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Links |
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Elements |
H
C
O
N
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