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Chemical ID: 7451356
Chemical ID:
7451356
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)N(=O)=O)CCc5ccc(cc5)OC
InChi [?]:
InChI=1/C27H22N2O6/c1-16-3-12-22-21(15-16)25(30)23-24(18-6-8-19(9-7-18)29(32)33)28(27(31)26(23)35-22)14-13-17-4-10-20(34-2)11-5-17/h3-12,15,24H,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,35,3,29,33,18,22,19,21,30,32,4,27,26,7,2,28,17,20,31,6,5,10,16,8,11,13,15,23,9,14,24,25,34,12/E:(4,5)(6,7)(8,9)(10,11)(32,33)/CRV:29.5/rA:35cCCCCCCCCOCCOCONCCCCCCCNOOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;d23;d23;s15;s26;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22N2O6 |
All Atoms: | 57 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.38217 |
Area: | 706.328 |
Solvation: | -10.276 |
Coulombic: | -54.8636 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.53 |
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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