Chemical ID: 5876784

CCCCC(CC)C(=O)N(CCOC)C(C)c1nc2ccccc2c(=O)n1c3ccc(cc3)OCC
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

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Experimental Annotations

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Descriptor Annotations

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