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Chemical ID: 5876752
Chemical ID:
5876752
Name [?]:
N-[1-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-propyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CCC)C(C)c1nc2ccccc2c(=O)n1c3ccccc3CC
InChi [?]:
InChI=1/C26H33N3O2/c1-5-8-17-24(30)28(18-6-2)19(4)25-27-22-15-11-10-14-21(22)26(31)29(25)23-16-12-9-13-20(23)7-3/h9-16,19H,5-8,17-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,31,12,2,9,30,3,27,18,17,26,28,19,16,25,4,8,11,29,20,15,24,5,13,21,14,7,23,6,22/rA:31cCCCCCONCCCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7;s11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;d21;s13s21;s23;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H33N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.2932 |
Area: | 639.223 |
Solvation: | -2.68736 |
Coulombic: | -41.7602 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 419.559 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.34 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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