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Chemical ID: 5874635
Chemical ID:
5874635
Name [?]:
N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-propyl-cyclohexanecarboxamide
SMILES [?]:
CCCN(C(CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)OCC)C(=O)C4CCCCC4
InChi [?]:
InChI=1/C29H37N3O3/c1-4-20-31(28(33)21-12-8-7-9-13-21)26(5-2)27-30-25-15-11-10-14-24(25)29(34)32(27)22-16-18-23(19-17-22)35-6-3/h10-11,14-19,21,26H,4-9,12-13,20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,27,2,6,26,33,32,34,13,12,31,35,14,11,20,24,21,23,3,30,19,22,15,10,5,8,28,16,9,4,18,29,17,25/E:(8,9)(12,13)(16,17)(18,19)/rA:35cCCCNCCCCNCCCCCCCONCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s4;d28;s28;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H37N3O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.83 |
Area: | 664.36 |
Solvation: | -3.77901 |
Coulombic: | -48.626 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 475.622 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.87 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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