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Chemical ID: 7703429
Chemical ID:
7703429
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C25H22Cl2N2O5/c1-3-32-20-11-6-18(7-12-20)25(31)34-21-9-4-17(5-10-21)15-28-29-24(30)16(2)33-23-13-8-19(26)14-22(23)27/h4-16H,3H2,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,25,2,15,17,6,8,29,14,18,5,9,28,31,19,24,16,7,30,4,13,32,27,22,10,34,33,20,21,23,11,3,26,12/E:(4,5)(6,7)(9,10)(11,12)/rA:34cCCOCCCCCCCOOCCCCCCCNNCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22Cl2N2O5 |
All Atoms: | 56 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.483 |
Area: | 760.333 |
Solvation: | -7.52535 |
Coulombic: | -54.1094 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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