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Home > Other Heterocycles > 102395-33-5
102395-33-5 | 1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1,3-bis(1-methylethyl)-
CAS No: 102395-33-5 Catalog No: AG0007BK MDL No:
Product Description
Catalog Number:
AG0007BK
Chemical Name:
1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1,3-bis(1-methylethyl)-
CAS Number:
102395-33-5
Molecular Formula:
C22H31N3O4
Molecular Weight:
401.4992
IUPAC Name:
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,3-di(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
InChI:
InChI=1S/C22H31N3O4/c1-15(2)24-20(26)22(25(16(3)4)21(24)27)9-11-23(12-10-22)13-17-14-28-18-7-5-6-8-19(18)29-17/h5-8,15-17H,9-14H2,1-4H3
InChI Key:
QWLAOHSLVVDZMJ-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)N(C(=O)C21CCN(CC2)CC1COc2c(O1)cccc2)C(C)C)C
NSC Number:
167812
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.231g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.507g/mol
Monoisotopic Mass:
401.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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