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Chemical ID: 6210315
Chemical ID:
6210315
Name [?]:
N-butyl-2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanyl-acetamide
SMILES [?]:
CCCCNC(=O)CSc1nc2ccccc2c(n1)NCC3CCCO3
InChi [?]:
InChI=1/C19H26N4O2S/c1-2-3-10-20-17(24)13-26-19-22-16-9-5-4-8-15(16)18(23-19)21-12-14-7-6-11-25-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,24)(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,15,14,24,23,16,13,4,25,21,8,22,17,12,6,18,10,5,20,11,19,7,26,9/rA:26cCCCCNCOCSCNCCCCCCCNNCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;d10s18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N4O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8011 |
Area: | 634.644 |
Solvation: | -4.065 |
Coulombic: | -53.6144 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.501 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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