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1191996-10-7 | 1H-Pyrrole-1-acetamide, 4-(2-chlorophenoxy)-N-[1-[(2S)-2,3-dihydroxypropyl]-1H-pyrazol-3-yl]-2,5-dihydro-α-(2-methylpropyl)-2-oxo-, (αS)-
CAS No: 1191996-10-7 Catalog No: AG000IBL MDL No:
Product Description
Catalog Number:
AG000IBL
Chemical Name:
1H-Pyrrole-1-acetamide, 4-(2-chlorophenoxy)-N-[1-[(2S)-2,3-dihydroxypropyl]-1H-pyrazol-3-yl]-2,5-dihydro-α-(2-methylpropyl)-2-oxo-, (αS)-
CAS Number:
1191996-10-7
Molecular Formula:
C22H27ClN4O5
Molecular Weight:
462.9266
IUPAC Name:
(2S)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide
InChI:
InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18-/m0/s1
InChI Key:
HMUMWSORCUWQJO-YJBOKZPZSA-N
SMILES:
OC[C@H](Cn1ccc(n1)NC(=O)[C@@H](N1CC(=CC1=O)Oc1ccccc1Cl)CC(C)C)O
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
462.167g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
462.931g/mol
Monoisotopic Mass:
462.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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