ChemDB: Chemical Search
Download
Chemical ID: 5875477
Chemical ID:
5875477
Name [?]:
N-[1-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-phenethyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CCc1ccccc1)C(CC)c2nc3ccccc3c(=O)n2c4ccc(cc4)OC
InChi [?]:
InChI=1/C31H35N3O3/c1-4-6-16-29(35)33(22-21-23-12-8-7-9-13-23)28(5-2)30-32-27-15-11-10-14-26(27)31(36)34(30)24-17-19-25(37-3)20-18-24/h7-15,17-20,28H,4-6,16,21-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,37,2,17,3,13,12,14,24,23,11,15,25,22,4,31,35,32,34,9,8,10,30,33,26,21,16,5,19,27,20,7,29,6,28,36/E:(8,9)(12,13)(17,18)(19,20)/rA:37cCCCCCONCCCCCCCCCCCCNCCCCCCCONCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s7;s16;s17;s16;d19;s20;s21;d22;s23;d24;d21s25;s26;d27;s19s27;s29;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H35N3O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8559 |
Area: | 733.088 |
Solvation: | -4.47135 |
Coulombic: | -49.2022 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 497.628 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|