Home Carbonyls Carbamic acid, [1-[4-[(1H-pyrrolo[2,3-b]pyridin-4-ylamino)carbonyl]phenyl]ethyl]-, phenylmethyl ester, (R)- (9CI)

Carbamic acid, [1-[4-[(1H-pyrrolo[2,3-b]pyridin-4-ylamino)carbonyl]phenyl]ethyl]-, phenylmethyl ester, (R)- (9CI)

CAS No.:
173897-93-3
Catalog Number:
AG001Z9U
Molecular Formula:
C24H22N4O3
Molecular Weight:
414.4565
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Product Description
Catalog Number:
AG001Z9U
Chemical Name:
Carbamic acid, [1-[4-[(1H-pyrrolo[2,3-b]pyridin-4-ylamino)carbonyl]phenyl]ethyl]-, phenylmethyl ester, (R)- (9CI)
CAS Number:
173897-93-3
Molecular Formula:
C24H22N4O3
Molecular Weight:
414.4565
MDL Number:
MFCD23102726
IUPAC Name:
benzyl N-[(1R)-1-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate
InChI:
InChI=1S/C24H22N4O3/c1-16(27-24(30)31-15-17-5-3-2-4-6-17)18-7-9-19(10-8-18)23(29)28-21-12-14-26-22-20(21)11-13-25-22/h2-14,16H,15H2,1H3,(H,27,30)(H2,25,26,28,29)/t16-/m1/s1
InChI Key:
XQVVZDMIKBFLOZ-MRXNPFEDSA-N
SMILES:
O=C(N[C@@H](c1ccc(cc1)C(=O)Nc1ccnc2c1cc[nH]2)C)OCc1ccccc1
Properties
Complexity:
602  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
414.169g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
414.465g/mol
Monoisotopic Mass:
414.169g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties