HIT ID: HIT214434309
Cas No: 2234273-72-2
分子式: C18H16F4N4O2S
分子量: 428.41
常用名: NBD-14189
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(1S)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
IUPAC: N-[(1S)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILES: NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(c(F)c1)C(F)(F)F)c1nc(CO)cs1
SMILES: NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(c(F)c1)C(F)(F)F)c1nc(CO)cs1
InChI key: ZKOITYDZLQYLNI-HNNXBMFYSA-N