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Chemical ID: 5876784
Chemical ID:
5876784
Name [?]:
N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-2-ethyl-N-(2-methoxyethyl)hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCOC)C(C)c1nc2ccccc2c(=O)n1c3ccc(cc3)OCC
InChi [?]:
InChI=1/C29H39N3O4/c1-6-9-12-22(7-2)28(33)31(19-20-35-5)21(4)27-30-26-14-11-10-13-25(26)29(34)32(27)23-15-17-24(18-16-23)36-8-3/h10-11,13-18,21-22H,6-9,12,19-20H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,7,36,16,14,2,6,35,3,22,21,4,23,20,29,33,30,32,11,12,15,5,28,31,24,19,17,8,25,18,10,27,9,26,13,34/E:(15,16)(17,18)/rA:36cCCCCCCCCONCCOCCCCNCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;s15;d17;s18;s19;d20;s21;d22;d19s23;s24;d25;s17s25;s27;s28;d29;s30;d31;d28s32;s31;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H39N3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.1714 |
Area: | 722.728 |
Solvation: | -4.89682 |
Coulombic: | -56.0499 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 493.638 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.45 |
LogP (Chemaxon): | 4.99 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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