Home Carbonyls 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-(trimethyl-1H-pyrazol-4-yl)acetic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-(trimethyl-1H-pyrazol-4-yl)acetic acid

CAS No.:
1910775-98-2
Catalog Number:
AG01EKHM
Molecular Formula:
C23H23N3O4
Molecular Weight:
405.4464
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Product Description
Catalog Number:
AG01EKHM
Chemical Name:
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CAS Number:
1910775-98-2
Molecular Formula:
C23H23N3O4
Molecular Weight:
405.4464
MDL Number:
MFCD28389331
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
InChI:
InChI=1S/C23H23N3O4/c1-13-20(14(2)26(3)25-13)21(22(27)28)24-23(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19,21H,12H2,1-3H3,(H,24,29)(H,27,28)
InChI Key:
KZDHKUMGCCRKOV-UHFFFAOYSA-N
SMILES:
O=C(NC(c1c(C)nn(c1C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
622  
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:
6  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties