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314771-76-1 | (S)-N4-(3-CHLORO-4-FLUOROPHENYL)-7-(TETRAHYDROFURAN-3-YLOXY)QUINAZOLINE-4,6-DIAMINE
CAS No: 314771-76-1 Catalog No: AG00391I MDL No:MFCD18642925
Product Description
Catalog Number:
AG00391I
Chemical Name:
(S)-N4-(3-CHLORO-4-FLUOROPHENYL)-7-(TETRAHYDROFURAN-3-YLOXY)QUINAZOLINE-4,6-DIAMINE
CAS Number:
314771-76-1
Molecular Formula:
C18H16ClFN4O2
Molecular Weight:
374.7966
MDL Number:
MFCD18642925
IUPAC Name:
4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
InChI:
InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1
InChI Key:
BIQABKFYKJRXII-NSHDSACASA-N
SMILES:
Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F
UNII:
Q58L53U44Y
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
374.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.8g/mol
Monoisotopic Mass:
374.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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