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Chemical ID: 7340572
Chemical ID:
7340572
Name [?]:
None
SMILES [?]:
CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4cc(ccc4OC)OC
InChi [?]:
InChI=1/C25H28N4O3/c1-29(2)13-7-12-26-25(30)21-15-18-17-8-5-6-9-20(17)27-23(18)24(28-21)19-14-16(31-3)10-11-22(19)32-4/h5-6,8-11,14-15,27H,7,12-13H2,1-4H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,3,32,30,15,16,5,14,17,26,27,6,4,24,11,25,13,12,23,18,10,28,20,21,8,7,19,22,2,9,31,29/E:(1,2)/rA:32nCNCCCCNCOCCCCCCCCCNCCNCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;d10s21;s21;s23;d24;s25;d26;d23s27;s28;s29;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28N4O3 |
All Atoms: | 60 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8766 |
Area: | 690.044 |
Solvation: | -5.37453 |
Coulombic: | -59.1694 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 432.515 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.84 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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