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Chemical ID: 6008283
Chemical ID:
6008283
Name [?]:
N-(cyclohexylmethyl)-2-[4-oxo-1-phenyl-8-(3-phenylprop-2-enoyl)-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
c1ccc(cc1)C=CC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCC5CCCCC5
InChi [?]:
InChI=1/C31H38N4O3/c36-28(32-22-26-12-6-2-7-13-26)23-34-24-35(27-14-8-3-9-15-27)31(30(34)38)18-20-33(21-19-31)29(37)17-16-25-10-4-1-5-11-25/h1,3-5,8-11,14-17,26H,2,6-7,12-13,18-24H2,(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,36,25,2,6,35,37,24,26,3,5,34,38,23,27,7,8,13,15,12,16,32,28,20,4,33,22,29,9,17,14,31,11,19,21,30,10,18/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(18,19)(20,21)/rA:38cCCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s14s20;s21;s22;d23;s24;d25;d22s26;s19;s28;d29;s29;s31;s32;s33;s34;s35;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H38N4O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.624 |
Area: | 764.959 |
Solvation: | -5.49995 |
Coulombic: | -63.7295 |
Bond Count [?]
All: | 42 |
Single: | 32 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 514.659 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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