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Chemical ID: 6008382
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.
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Experimental Annotations
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Descriptor Annotations
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