| Formula |
C30H40ClN7O3S |
| IUPAC Name |
5-chloro-n-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine |
| Molecular Mass |
614.202 g·mol−1 |
| Heat of Formation |
-210.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.09 ± 1.08 D |
| Volume |
722.18 Å 3 |
| Surface Area |
514.14 Å 2 |
| HOMO Energy |
-8.50 ± 0.55 eV |
| LUMO Energy |
2.43 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 5-chloro-n'-(2-isopropylsulfonylphenyl)-n-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]pyrimidine-2,4-diamine
- 5-chloro-n'-(2-isopropylsulfonylphenyl)-n-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]phenyl]pyrimidine-2,4-diamine
- [5-chloro-4-[(2-isopropylsulfonylphenyl)amino]pyrimidin-2-yl]-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]phenyl]amine
|
| InChIKey |
QQWUGDVOUVUTOY-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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