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Chemical ID: 4903154
Chemical ID:
4903154
Name [?]:
None
SMILES [?]:
CCCCc1c2c(c3c4c(c(ncn4)N(C)CCO)sc3n1)CCC2
InChi [?]:
InChI=1/C19H24N4OS/c1-3-4-8-14-12-6-5-7-13(12)15-16-17(25-19(15)22-14)18(21-11-20-16)23(2)9-10-24/h11,24H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,3,24,25,23,4,17,18,13,6,7,5,8,9,10,11,21,14,12,22,15,19,20/rA:25cCCCCCCCCCCCNCNNCCCOSCNCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;d9s13;s11;s15;s15;s17;s18;s10;d8s20;d5s21;s7;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N4OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4315 |
Area: | 562.359 |
Solvation: | -3.62744 |
Coulombic: | -39.5255 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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