ChemDB: Chemical Search
Download
Chemical ID: 5878484
Chemical ID:
5878484
Name [?]:
N-isopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-3-phenyl-propanamide
SMILES [?]:
CCC(c1nc2ccccc2c(=O)n1c3ccccc3OC)N(CCC(C)C)C(=O)CCc4ccccc4
InChi [?]:
InChI=1/C32H37N3O3/c1-5-27(34(22-21-23(2)3)30(36)20-19-24-13-7-6-8-14-24)31-33-26-16-10-9-15-25(26)32(37)35(31)28-17-11-12-18-29(28)38-4/h6-18,23,27H,5,19-22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,22,2,36,35,37,9,8,17,18,34,38,10,7,16,19,32,31,25,24,26,33,11,6,3,15,20,29,4,12,5,23,14,30,13,21/E:(2,3)(7,8)(13,14)/rA:38cCCCCNCCCCCCCONCCCCCCOCNCCCCCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s3;s23;s24;s25;s26;s26;s23;d29;s29;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H37N3O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.7143 |
Area: | 720.418 |
Solvation: | -4.29617 |
Coulombic: | -49.9192 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 511.655 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.31 |
LogP (Chemaxon): | 6.28 |
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 |
---|