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1029692-15-6 | Isopropyl (2S)-7-Cyano-4-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-ylcarbamate
CAS No: 1029692-15-6 Catalog No: AG01F2TD MDL No:
Product Description
Catalog Number:
AG01F2TD
Chemical Name:
Isopropyl (2S)-7-Cyano-4-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-ylcarbamate
CAS Number:
1029692-15-6
Molecular Formula:
C22H22N4O2
Molecular Weight:
374.4357
IUPAC Name:
propan-2-yl N-[(2S)-7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
InChI:
InChI=1S/C22H22N4O2/c1-14(2)28-22(27)25-17-10-19-18-9-15(12-23)6-7-20(18)26(21(19)11-17)13-16-5-3-4-8-24-16/h3-9,14,17H,10-11,13H2,1-2H3,(H,25,27)/t17-/m0/s1
InChI Key:
IHIWYQYVBNODSV-KRWDZBQOSA-N
SMILES:
N#Cc1ccc2c(c1)c1C[C@@H](Cc1n2Cc1ccccn1)NC(=O)OC(C)C
UNII:
XKW9MYF94Y
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
374.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.444g/mol
Monoisotopic Mass:
374.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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