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Chemical ID: 5609643
Chemical ID:
5609643
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)C(=O)N(CCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5ccc(cc5)OC)C
InChi [?]:
InChI=1/C30H26N2O4/c1-19-16-20(2)18-22(17-19)28(33)31(23-10-12-24(36-3)13-11-23)14-15-32-29(34)25-8-4-6-21-7-5-9-26(27(21)25)30(32)35/h4-13,16-18H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,35,18,24,19,25,17,23,29,33,30,32,11,12,3,7,5,2,4,20,6,28,31,16,22,21,8,14,26,10,13,9,15,27,34/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)(19,20)(25,26)(29,30)(34,35)/rA:36nCCCCCCCCONCCNCOCCCCCCCCCCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s10;s28;d29;s30;d31;d28s32;s31;s34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N2O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0515 |
Area: | 692.152 |
Solvation: | -4.25225 |
Coulombic: | -54.0436 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 478.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.11 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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