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Chemical ID: 5872435
Chemical ID:
5872435
Name [?]:
2-(1-butylaminoethyl)-3-propyl-quinazolin-4-one
SMILES [?]:
CCCCNC(C)c1nc2ccccc2c(=O)n1CCC
InChi [?]:
InChI=1/C17H25N3O/c1-4-6-11-18-13(3)16-19-15-10-8-7-9-14(15)17(21)20(16)12-5-2/h7-10,13,18H,4-6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,7,2,20,3,13,12,14,11,4,19,6,15,10,8,16,5,9,18,17/rA:21cCCCCNCCCNCCCCCCCONCCC/rB:s1;s2;s3;s4;s5;s6;s6;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8502 |
Area: | 509.09 |
Solvation: | -1.87703 |
Coulombic: | -33.4682 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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