Name: Name:N-[2-[[[[1-Methyl-5-[(triphenylmethyl)amino]-1H-pyrazol-4-yl]amino]carbonyl]amino]ethyl]carbamic acid tert-butyl ester
Brand: Angene
SKU: AG00FH6E
Rating: 90 (10 reviews)

N-[2-[[[[1-Methyl-5-[(triphenylmethyl)amino]-1H-pyrazol-4-yl]amino]carbonyl]amino]ethyl]carbamic acid tert-butyl ester

CAS No.:

689293-69-4

Catalog Number:

AG00FH6E

Molecular Formula:

C31H36N6O3

Molecular Weight:

540.6559

Catalog Number:

AG00FH6E

Chemical Name:

N-[2-[[[[1-Methyl-5-[(triphenylmethyl)amino]-1H-pyrazol-4-yl]amino]carbonyl]amino]ethyl]carbamic acid tert-butyl ester

CAS Number:

689293-69-4

Molecular Formula:

C31H36N6O3

Molecular Weight:

540.6559

MDL Number:

MFCD24848694

IUPAC Name:

tert-butyl N-[2-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]ethyl]carbamate

InChI:

InChI=1S/C31H36N6O3/c1-30(2,3)40-29(39)33-21-20-32-28(38)35-26-22-34-37(4)27(26)36-31(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,36H,20-21H2,1-4H3,(H,33,39)(H2,32,35,38)

InChI Key:

BJTYSZPIWGFSKV-UHFFFAOYSA-N

SMILES:

O=C(Nc1cnn(c1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C)NCCNC(=O)OC(C)(C)C

EC Number:

614-818-6

Complexity:

754

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

540.285g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

540.668g/mol

Monoisotopic Mass:

540.285g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9