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Chemical ID: 6449874
Chemical ID:
6449874
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCC(=O)c4ccc(cc4)Cl)c5ccccc5)C1
InChi [?]:
InChI=1/C24H20ClN3O2S2/c1-27-12-11-18-20(13-27)32-22-21(18)23(30)28(17-5-3-2-4-6-17)24(26-22)31-14-19(29)15-7-9-16(25)10-8-15/h2-10H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,27,31,20,24,21,23,4,3,32,16,19,22,26,5,17,6,9,8,10,13,25,14,2,12,18,11,15,7/E:(3,4)(5,6)(7,8)(9,10)/rA:32cCNCCCCSCCCONCNSCCOCCCCCCClCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s12;s26;d27;s28;d29;d26s30;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClN3O2S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.6021 |
Area: | 687.539 |
Solvation: | -3.58638 |
Coulombic: | -37.8902 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 482.019 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.33 |
LogP (Chemaxon): | 4.81 |
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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