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Chemical ID: 6568962
Chemical ID:
6568962
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)N(CCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5cccc(c5)Cl
InChi [?]:
InChI=1/C28H21ClN2O4/c1-35-22-13-11-21(12-14-22)30(26(32)19-7-2-8-20(29)17-19)15-16-31-27(33)23-9-3-5-18-6-4-10-24(25(18)23)28(31)34/h2-14,17H,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,31,17,23,18,24,30,32,16,22,5,7,4,8,10,11,34,19,29,33,6,3,15,21,20,27,13,25,35,9,12,28,14,26,2/E:(3,4)(5,6)(9,10)(11,12)(13,14)(23,24)(27,28)(33,34)/rA:35nCOCCCCCCNCCNCOCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s12s21;d25;s9;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H21ClN2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6572 |
Area: | 660.014 |
Solvation: | -3.84313 |
Coulombic: | -54.7969 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 484.93 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.86 |
LogP (Chemaxon): | 4.59 |
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.
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