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Chemical ID: 5876932
Chemical ID:
5876932
Name [?]:
N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-phenethyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CCc1ccccc1)C(C)c2nc3ccccc3c(=O)n2c4ccc(cc4)OCC
InChi [?]:
InChI=1/C32H37N3O3/c1-4-6-8-17-30(36)34(23-22-25-13-9-7-10-14-25)24(3)31-33-29-16-12-11-15-28(29)32(37)35(31)26-18-20-27(21-19-26)38-5-2/h7,9-16,18-21,24H,4-6,8,17,22-23H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,38,18,2,37,3,14,4,13,15,24,23,12,16,25,22,5,31,35,32,34,10,9,17,11,30,33,26,21,6,19,27,20,8,29,7,28,36/E:(9,10)(13,14)(18,19)(20,21)/rA:38cCCCCCCONCCCCCCCCCCCNCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;s17;s17;d19;s20;s21;d22;s23;d24;d21s25;s26;d27;s19s27;s29;s30;d31;s32;d33;d30s34;s33;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H37N3O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 15.1243 |
Area: | 781.996 |
Solvation: | -4.42562 |
Coulombic: | -49.2514 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 511.655 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.65 |
LogP (Chemaxon): | 6.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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