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Chemical ID: 7313061
Chemical ID:
7313061
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCCC23C(=O)N(C(=O)N3)CC(=O)NC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C21H26N4O4/c26-17(23-19(28)22-15-9-2-1-3-10-15)13-25-18(27)21(24-20(25)29)12-6-8-14-7-4-5-11-16(14)21/h4-5,7,11,15H,1-3,6,8-10,12-13H2,(H,24,29)(H2,22,23,26,28)
InChi Info:
AuxInfo=1/1/N:27,26,28,1,2,8,6,7,25,29,3,9,17,5,24,4,18,11,21,14,10,23,20,16,13,19,12,22,15/E:(2,3)(9,10)/rA:29cCCCCCCCCCCCONCONCCONCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s18;s20;d21;s21;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N4O4 |
All Atoms: | 55 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.88029 |
Area: | 603.855 |
Solvation: | -5.21607 |
Coulombic: | -82.2175 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 398.456 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 2.78 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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