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Chemical ID: 6007771
Chemical ID:
6007771
Name [?]:
2-[8-(2-chlorobenzoyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]dec-2-yl]-N-(2-furylmethyl)acetamide
SMILES [?]:
c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccccc4Cl)CC(=O)NCc5ccco5
InChi [?]:
InChI=1/C27H27ClN4O4/c28-23-11-5-4-10-22(23)25(34)30-14-12-27(13-15-30)26(35)31(19-32(27)20-7-2-1-3-8-20)18-24(33)29-17-21-9-6-16-36-21/h1-11,16H,12-15,17-19H2,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,34,3,5,33,21,24,13,17,14,16,35,31,27,8,4,32,20,25,28,18,10,12,26,30,15,9,7,29,19,11,36/E:(2,3)(7,8)(12,13)(14,15)/rA:36cCCCCCCNCNCOCCCNCCCOCCCCCCClCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s25;s9;s27;d28;s28;s30;s31;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H27ClN4O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.814 |
Area: | 720.445 |
Solvation: | -6.19712 |
Coulombic: | -69.7723 |
Bond Count [?]
All: | 40 |
Single: | 29 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 506.981 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.33 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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