175212-04-1
N-[4-[5-[(4-FLUOROPHENOXY)METHYL]TETRAHYDRO-2-FURANYL]-3-BUTYNYL]-N-HYDROXYUREA,(2S,5S)-FORM
NameN-[4-[5-[(4-FLUOROPHENOXY)METHYL]TETRAHYDRO-2-FURANYL]-3-BUTYNYL]-N-HYDROXYUREA,(2S,5S)-FORM
1Identification
【Name】
N-[4-[5-[(4-FLUOROPHENOXY)METHYL]TETRAHYDRO-2-FURANYL]-3-BUTYNYL]-N-HYDROXYUREA,(2S,5S)-FORM
【CAS】
【MDL】
MFCD16876487
【English Synonyms】
【Formula】
C16 H19 F N2 O4
【MolWeight】
322.334
【Inchi】
InChI=1S/C16H19FN2O4/c17-12-4-6-13(7-5-12)22-11-15-9-8-14(23-15)3-1-2-10-19(21)16(18)20/h4-7,14-15,21H,2,8-11H2,(H2,18,20)/t14-,15+/m1/s1
【InChIKey】
InChIKey=YANONWCPCKIWEC-CABCVRRESA-N
【SMILES】
c1cc(ccc1OC[C@@H]2CC[C@H](O2)C#CCCN(C(=O)N)O)F
【MOL File】
N-[4-[5-[(4-FLUOROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-[5-[(4-FLUOROPHENOXY)METHYL]TETRAHYDRO-2-FURANYL]-3-BUTYNYL]-N-HYDROXYUREA,(2S,5S)-FORM.cml