|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
15
Total Number of Articles : 10
|
| PubChem |
1125790
|
| Molecular Formula |
C16H13BrN2O2S |
| SMILES |
C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)NCC3=CC=CC=N3 |
| InChI |
InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2 |
| synonyms |
- Pyrabactin
- 419538-69-5
- L9PM5Q6DDW
- CHEBI:73159
- 4-Bromo-N-(2-pyridinylmethyl)-1-naphthalenesulfonamide
- 1-Naphthalenesulfonamide, 4-bromo-N-(2-pyridinylmethyl)-
- 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
- 3nef
- 3neg
- PYV
- ZINC00864555
- PYRABACTIN A
- UNII-L9PM5Q6DDW
- Oprea1_304672
- [(4-bromonaphthyl)sulfonyl](2-pyridylmethyl)amine
- SCHEMBL9932519
- CHEMBL1235543
- Pyrabactin, >=98% (HPLC)
- DTXSID80360553
- STK081906
- AKOS002288739
- NCGC00485018-01
- DA-77249
- TS-08614
- HY-118115
- CS-0065217
- ST45182013
- AG-690/11668981
- EN300-18528777
- SR-01000216006
Click to show/hide the synonyms
|
| Properties |
| Property |
Value |
| MW |
377.3 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
4 |
| Exact Mass |
375.98811 g/mol |
| Monoisotopic Mass |
375.98811 g/mol |
| Heavy Atom Count |
22 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
465 |
| xlogp |
3.3 |
| Topological Polar Surface Area |
67.4 |
|