Home Halogens (5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester

(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester

CAS No.:
365998-36-3
Catalog Number:
AG00CKPW
Molecular Formula:
C14H27N3O3
Molecular Weight:
285.3825
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Product Description
Catalog Number:
AG00CKPW
Chemical Name:
(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester
CAS Number:
365998-36-3
Molecular Formula:
C14H27N3O3
Molecular Weight:
285.3825
MDL Number:
MFCD22190570
IUPAC Name:
tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
InChI:
InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5/h9-11H,6-8,15H2,1-5H3,(H,16,19)/t9-,10-,11+/m0/s1
InChI Key:
JCHIBKSSZNWERE-GARJFASQSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
285.205g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
285.388g/mol
Monoisotopic Mass:
285.205g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties