Chemical ID: 5876932

CCCCCC(=O)N(CCc1ccccc1)C(C)c2nc3ccccc3c(=O)n2c4ccc(cc4)OCC
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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