HIT ID: HIT106243621
Cas No: 65673-63-4
分子式: C17H17BrN2O5
分子量: 409.236
常用名: HA14-1
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 2.5994290140000005
IUPAC: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
IUPAC: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
SMILES: CCOC(=O)C(C#N)C1C(C(=O)OCC)=C(N)Oc2ccc(Br)cc12
SMILES: CCOC(=O)C(C#N)C1C(C(=O)OCC)=C(N)Oc2ccc(Br)cc12
InChI key: SXJDCULZDFWMJC-UHFFFAOYSA-N
