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Chemical ID: 5607690
Chemical ID:
5607690
Name [?]:
None
SMILES [?]:
COc1cccc(c1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5
InChi [?]:
InChI=1/C29H24N2O4/c1-35-23-14-7-13-22(19-23)30(27(32)21-9-3-2-4-10-21)17-8-18-31-28(33)24-15-5-11-20-12-6-16-25(26(20)24)29(31)34/h2-7,9-16,19H,8,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,33,32,34,18,24,5,11,31,35,19,25,6,4,17,23,10,12,8,20,30,7,3,16,22,21,28,14,26,9,13,29,15,27,2/E:(3,4)(5,6)(9,10)(11,12)(15,16)(24,25)(28,29)(33,34)/rA:35nCOCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s9;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H24N2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0283 |
Area: | 665.79 |
Solvation: | -4.61647 |
Coulombic: | -54.4209 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 464.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.6 |
LogP (Chemaxon): | 4.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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