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Chemical ID: 4610707
Chemical ID:
4610707
Name [?]:
None
SMILES [?]:
CCSc1nc2c(c3c(s2)CN(CC3)C)c(=O)n1c4ccc(cc4)C
InChi [?]:
InChI=1/C19H21N3OS2/c1-4-24-19-20-17-16(14-9-10-21(3)11-15(14)25-17)18(23)22(19)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,15,2,21,23,20,24,14,13,11,22,19,8,9,7,6,16,4,5,12,18,17,3,10/E:(5,6)(7,8)/rA:25cCCSCNCCCCSCNCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s9;s11;s12;s8s13;s12;s7;d16;s4s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0048 |
Area: | 558.829 |
Solvation: | -1.96597 |
Coulombic: | -29.5132 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 371.522 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.44 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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