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Chemical ID: 4607285
Chemical ID:
4607285
Name [?]:
None
SMILES [?]:
CCc1c2c(c3c4c(c(ncn4)NCCN(C)C)sc3n1)CCCC2
InChi [?]:
InChI=1/C19H25N5S/c1-4-14-12-7-5-6-8-13(12)15-16-17(25-19(15)23-14)18(22-11-21-16)20-9-10-24(2)3/h11H,4-10H2,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,24,23,25,22,14,15,11,4,5,3,6,7,8,9,20,13,12,10,21,16,19/E:(2,3)/rA:25nCCCCCCCCCNCNNCCNCCSCNCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;d7s11;s9;s13;s14;s15;s16;s16;s8;d6s19;d3s20;s5;s22;s23;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N5S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1178 |
Area: | 565.401 |
Solvation: | -2.01722 |
Coulombic: | -33.5059 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.81 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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