| Formula |
C26H31N5O2 |
| IUPAC Name |
1-[(3s)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3h-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea |
| Molecular Mass |
445.557 g·mol−1 |
| Heat of Formation |
-106.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.40 ± 1.08 D |
| Volume |
535.74 Å 3 |
| Surface Area |
439.25 Å 2 |
| HOMO Energy |
-8.49 ± 0.55 eV |
| LUMO Energy |
-0.83 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-[(3s)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
- 1-[(3s)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-2-keto-1-methyl-3h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
- l740093
|
| InChIKey |
QYERABWMFRRINX-SELNLUPBSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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