| Formula |
C42H45ClN6O5S2 |
| IUPAC Name |
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-n-[4-[[(1r)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide |
| Molecular Mass |
813.427 g·mol−1 |
| Heat of Formation |
-143.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
12.25 ± 1.08 D |
| Volume |
937.77 Å 3 |
| Surface Area |
634.42 Å 2 |
| HOMO Energy |
-8.54 ± 0.55 eV |
| LUMO Energy |
-0.78 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[4-[2-(4-chlorophenyl)benzyl]piperazin-1-yl]-n-[4-[[(1r)-3-dimethylamino-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide
- 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-n-[4-[[(1r)-3-dimethylamino-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonylbenzamide
- 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-n-[4-[[(1r)-3-dimethylamino-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide
- 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-n-[4-[[(2r)-4-dimethylamino-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide
- n3c
|
| InChIKey |
HPLNQCPCUACXLM-PGUFJCEWSA-N |
| QR Code |
Generate QR Code |
| Links |
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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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