Primary record
KR-33494
- CAS
- 1021497-97-1
- PubChem CID
- 25009726
- SMILES
- C1=CC=C(C=C1)CCN2C=C(C(=N2)C(=O)O)NC(=O)CSC3=CC=C(C=C3)Br
- Molecular Formula
- C20H18BrN3O3S
- Molecular Weight
- 460.353
- Exact Mass
- 459.0252
- InChI
- InChI=1S/C20H18BrN3O3S/c21-15-6-8-16(9-7-15)28-13-18(25)22-17-12-24(23-19(17)20(26)27)11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,25)(H,26,27)
- InChIKey
- ZRLJEHIUGYTTSZ-UHFFFAOYSA-N
- LogP
- 4.3173
- TPSA
- 84.22
Names and synonyms
- KR-33494
- KR-33493
- 1021497-97-1
- UNII-NCH0QD81ZR
- NCH0QD81ZR
- C20H18BrN3O3S
- orb1296121
- SCHEMBL1875570
- CHEMBL3758483
- MFCD30738005
- ZRLJEHIUGYTTSZ-UHFFFAOYSA-N
- GLXC-10616
- BCP19823
- EX-A1269
- AKOS032960445
- ZINC117394176
- CS-6263
- AC-35452
- DA-64764
- FB158572
- KR 33494
- MS-28431
- HY-100755
- KR- 33494
- KR-33494?
- F85518
- A901189
- 4-(2-(4-Bromophenylthio)acetamido)-1-phenethyl-1H-pyrazole-3-carboxylic acid
- 4-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1-(2-phenylethyl)pyrazole-3-carboxylic acid
- 4-[[2-[(4-Bromophenyl)thio]acetyl]amino]-1-(2-phenylethyl)-1H-pyrazole-3-carboxylic acid