Home Carbonyls 2-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetic acid

2-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetic acid

CAS No.:
2138370-76-8
Catalog Number:
AG01EKUY
Molecular Formula:
C23H23N3O4
Molecular Weight:
405.4464
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Product Description
Catalog Number:
AG01EKUY
Chemical Name:
2-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetic acid
CAS Number:
2138370-76-8
Molecular Formula:
C23H23N3O4
Molecular Weight:
405.4464
MDL Number:
MFCD31559166
IUPAC Name:
2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
InChI:
InChI=1S/C23H23N3O4/c1-14-20(15(2)26(25-14)12-22(27)28)11-24-23(29)30-13-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-10,21H,11-13H2,1-2H3,(H,24,29)(H,27,28)
InChI Key:
ADOMRPWPPJTSDC-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCc1c(C)nn(c1C)CC(=O)O
Properties
Complexity:
608  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.169g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
405.454g/mol
Monoisotopic Mass:
405.169g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties