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131602-18-1 | Imidodicarbonic diamide, N-(1-hexyl-3-hydroxy-2-methyl-9H-carbazol-4-yl)-N'-(2-methylpropyl)-
CAS No: 131602-18-1 Catalog No: AG000ZHD MDL No:
Product Description
Catalog Number:
AG000ZHD
Chemical Name:
Imidodicarbonic diamide, N-(1-hexyl-3-hydroxy-2-methyl-9H-carbazol-4-yl)-N'-(2-methylpropyl)-
CAS Number:
131602-18-1
Molecular Formula:
C25H34N4O3
Molecular Weight:
438.5625
IUPAC Name:
1-carbamoyl-3-(1-hexyl-3-hydroxy-2-methyl-9H-carbazol-4-yl)-1-(2-methylpropyl)urea
InChI:
InChI=1S/C25H34N4O3/c1-5-6-7-8-11-17-16(4)23(30)22(28-25(32)29(24(26)31)14-15(2)3)20-18-12-9-10-13-19(18)27-21(17)20/h9-10,12-13,15,27,30H,5-8,11,14H2,1-4H3,(H2,26,31)(H,28,32)
InChI Key:
NBHAPOIFIJZQGK-UHFFFAOYSA-N
SMILES:
CCCCCCc1c(C)c(O)c(c2c1[nH]c1c2cccc1)NC(=O)N(C(=O)N)CC(C)C
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.263g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
438.572g/mol
Monoisotopic Mass:
438.263g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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