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Chemical ID: 7704065
Chemical ID:
7704065
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)C(C)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H25ClN2O6/c1-4-33-21-10-6-19(7-11-21)26(31)35-23-14-5-18(15-24(23)32-3)16-28-29-25(30)17(2)34-22-12-8-20(27)9-13-22/h5-17H,4H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,27,20,2,15,6,8,31,33,5,9,30,34,14,17,21,26,16,7,32,4,29,13,18,24,10,35,22,23,25,11,19,3,28,12/E:(6,7)(8,9)(10,11)(12,13)/rA:35cCCOCCCCCCCOOCCCCCCOCCNNCOCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;w21;s22;s23;d24;s24;s26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25ClN2O6 |
All Atoms: | 60 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7911 |
Area: | 763.35 |
Solvation: | -8.29263 |
Coulombic: | -61.7658 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.31 |
LogP (Chemaxon): | None |
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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