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Chemical ID: 7080809
Chemical ID:
7080809
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
InChi [?]:
InChI=1/C28H25NO3/c1-3-19-10-12-21(13-11-19)25-24-26(30)22-17-18(2)9-14-23(22)32-27(24)28(31)29(25)16-15-20-7-5-4-6-8-20/h4-14,17,25H,3,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,29,28,30,27,31,16,4,8,5,7,17,25,24,14,15,3,26,6,13,18,10,9,11,20,21,23,12,22,19/E:(5,6)(7,8)(10,11)(12,13)/rA:32cCCCCCCCCCCCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H25NO3 |
All Atoms: | 57 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5146 |
Area: | 667.1 |
Solvation: | -3.1629 |
Coulombic: | -38.3617 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 423.503 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.63 |
LogP (Chemaxon): | 6.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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