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Chemical ID: 3965354
Chemical ID:
3965354
Name [?]:
N-[3-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]propyl]tetrahydrofuran-2-carboxamide
SMILES [?]:
CN(CCCNC(=O)C1CCCO1)c2nc3cc(c(cc3c(n2)N)OC)OC
InChi [?]:
InChI=1/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,28,11,4,10,5,3,12,20,17,21,16,9,19,18,22,7,14,24,6,15,23,2,8,25,27,13/rA:28cCNCCCNCOCCCCOCNCCCCCCCNNOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s2;s14;d15;s16;d17;s18;d19;s16s20;d21;d14s22;s22;s19;s25;s18;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N5O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.81912 |
Area: | 633.478 |
Solvation: | -8.01783 |
Coulombic: | -76.7815 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 389.449 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.44 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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