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Chemical ID: 7462695
Chemical ID:
7462695
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)N(=O)=O
InChi [?]:
InChI=1/C27H22N2O7/c1-34-21-12-7-16(15-22(21)35-2)13-14-28-24(17-8-10-18(11-9-17)29(32)33)23-25(30)19-5-3-4-6-20(19)36-26(23)27(28)31/h3-12,15,24H,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,20,21,19,22,5,29,33,30,32,4,11,12,7,6,28,31,18,23,3,8,15,14,16,25,26,13,34,17,27,35,36,2,9,24/E:(8,9)(10,11)(32,33)/CRV:29.5/rA:36cCOCCCCCCOCCCNCCCOCCCCCCOCCOCCCCCCNOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s13s25;d26;s14;s28;d29;s30;d31;d28s32;s31;d34;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22N2O7 |
All Atoms: | 58 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 4.85376 |
Area: | 699.45 |
Solvation: | -12.6325 |
Coulombic: | -61.0078 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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