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Chemical ID: 6384199
Chemical ID:
6384199
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4ccccc4C2C5C3C(=O)N(C5=O)c6ccc(cc6)N7C(=O)C8C9CCC(C9)C8C7=O
InChi [?]:
InChI=1/C33H26N2O4/c36-30-24-16-9-10-17(15-16)25(24)31(37)34(30)18-11-13-19(14-12-18)35-32(38)28-26-20-5-1-2-6-21(20)27(29(28)33(35)39)23-8-4-3-7-22(23)26/h1-8,11-14,16-17,24-29H,9-10,15H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,3,9,12,33,34,24,26,23,27,36,32,35,25,22,5,4,8,13,31,37,7,14,16,15,29,38,17,20,28,19,30,39,18,21/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(16,17)(20,21,22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(36,37)(38,39)/rA:39cCCCCCCCCCCCCCCCCCONCOCCCCCCNCOCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s14;s7s15;s16;d17;s17;s15s19;d20;s19;s22;d23;s24;d25;d22s26;s25;s28;d29;s29;s31;s32;s33;s34;s32s35;s31s35;s28s37;d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H26N2O4 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 11.474 |
Area: | 673.304 |
Solvation: | -5.35863 |
Coulombic: | -48.7295 |
Bond Count [?]
All: | 47 |
Single: | 34 |
Double: | 13 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 514.571 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.36 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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