Formula |
C19H19N3O2S |
IUPAC Name |
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole |
Molecular Mass |
353.438 g·mol−1 |
Heat of Formation |
90.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.27 ± 1.08 D |
Volume |
403.67 Å 3 |
Surface Area |
358.41 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
2.33 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(1-(4-piperonyl)piperazinyl)benzothiazole
- 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)benzothiazole
- 2-ppbt
- benzothiazole, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-
- biomol-nt_000145
- bpbio1_000397
- oprea1_123424
- oprea1_318218
- vb 20b7
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CAS Number(s) |
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InChIKey |
BYHKGNWKJMGHGE-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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