Chemical ID: 6008382

CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccccc3)c4ccccc4
Chemical ID:
6008382
Name [?]:
2-(8-benzoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C26H32N4O3/c1-3-27(4-2)23(31)19-29-20-30(22-13-9-6-10-14-22)26(25(29)33)15-17-28(18-16-26)24(32)21-11-7-5-8-12-21/h5-14H,3-4,15-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,25,31,24,26,30,32,23,27,29,33,15,19,16,18,8,10,22,28,6,20,13,12,3,17,9,11,7,21,14/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:33cCCNCCCOCNCNCCOCCNCCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s11;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N4O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.5012
Area:669.872
Solvation:-4.24558
Coulombic:-59.7445
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.557
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.29
LogP (Chemaxon):2.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue