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Chemical ID: 4900426
Chemical ID:
4900426
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nnc(s5)CC)Cl
InChi [?]:
InChI=1/C24H20ClN3O4S/c1-3-11-31-15-8-5-13(6-9-15)20-19-21(29)16-12-14(25)7-10-17(16)32-22(19)23(30)28(20)24-27-26-18(4-2)33-24/h5-10,12,20H,3-4,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,31,7,9,18,6,10,19,3,16,8,17,5,15,20,29,12,11,13,22,23,26,33,28,27,25,14,24,4,21,30/E:(5,6)(8,9)/rA:33cCCCOCCCCCCCCCOCCCCCCOCCONCNNCSCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;d26;s27;d28;s26s29;s29;s31;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClN3O4S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8224 |
Area: | 701.042 |
Solvation: | -4.70368 |
Coulombic: | -46.7614 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 481.952 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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