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Chemical ID: 5998972
Chemical ID:
5998972
Name [?]:
2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N-(3-methoxypropyl)acetamide
SMILES [?]:
CCCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NCCCOC
InChi [?]:
InChI=1/C25H38N4O4/c1-3-4-6-12-23(31)27-16-13-25(14-17-27)24(32)28(19-22(30)26-15-9-18-33-2)20-29(25)21-10-7-5-8-11-21/h5,7-8,10-11H,3-4,6,9,12-20H2,1-2H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,33,2,3,22,4,21,23,30,20,24,5,10,12,29,9,13,31,25,17,19,26,6,14,11,28,8,16,18,27,7,15,32/E:(7,8)(10,11)(13,14)(16,17)/rA:33cCCCCCCONCCCCCCONCNCCCCCCCCONCCCOC/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;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H38N4O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7265 |
Area: | 736.907 |
Solvation: | -6.69618 |
Coulombic: | -68.2133 |
Bond Count [?]
All: | 35 |
Single: | 29 |
Double: | 6 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 458.594 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.71 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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