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Chemical ID: 6010638
Chemical ID:
6010638
Name [?]:
2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
CCCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(cc4)OC
InChi [?]:
InChI=1/C28H36N4O4/c1-3-4-6-11-26(34)30-18-16-28(17-19-30)27(35)31(21-32(28)23-9-7-5-8-10-23)20-25(33)29-22-12-14-24(36-2)15-13-22/h5,7-10,12-15H,3-4,6,11,16-21H2,1-2H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,36,2,3,22,4,21,23,20,24,5,30,34,31,33,10,12,9,13,25,17,29,19,32,26,6,14,11,28,8,16,18,27,7,15,35/E:(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)/rA:36cCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s11s17;s18;s19;d20;s21;d22;d19s23;s16;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H36N4O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2181 |
Area: | 755.683 |
Solvation: | -6.67401 |
Coulombic: | -67.4709 |
Bond Count [?]
All: | 39 |
Single: | 30 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 492.61 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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