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Chemical ID: 4835835
Chemical ID:
4835835
Name [?]:
None
SMILES [?]:
Cc1nc2c3cc4c(nc3sc2c(=O)n1CC(C)C)CC(OC4)(C)C
InChi [?]:
InChI=1/C19H23N3O2S/c1-10(2)8-22-11(3)20-15-13-6-12-9-24-19(4,5)7-14(12)21-17(13)25-16(15)18(22)23/h6,10H,7-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:18,19,1,24,25,6,20,16,23,17,2,7,5,8,4,12,10,13,21,3,9,15,14,22,11/E:(1,2)(4,5)/rA:25nCCNCCCCCNCSCCONCCCCCCOCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;d4s11;s12;d13;s2s13;s15;s16;s17;s17;s8;s20;s21;s7s22;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3016 |
Area: | 539.232 |
Solvation: | -3.17917 |
Coulombic: | -35.1549 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 357.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.2 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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