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Chemical ID: 3855625
Chemical ID:
3855625
Name [?]:
None
SMILES [?]:
c1cc(ccc1C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCOCC5)F
InChi [?]:
InChI=1/C23H24FN3O3S/c24-16-7-5-15(6-8-16)22-21-17-3-1-2-4-18(17)31-23(21)27(19(28)13-25-22)14-20(29)26-9-11-30-12-10-26/h5-8H,1-4,9-14H2
InChi Info:
AuxInfo=1/0/N:20,19,21,18,1,5,2,4,26,30,27,29,9,22,6,3,15,16,10,23,14,7,13,31,8,25,12,11,24,28,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCCCCCCCNCCONCCCCSCCCCCCONCCOCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s10;s12;s7d13;s14;d15;s13s16;s16;s18;s19;s15s20;s12;s22;d23;s23;s25;s26;s27;s28;s25s29;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24FN3O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17553 |
Area: | 603.723 |
Solvation: | -5.91755 |
Coulombic: | -50.2328 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 441.519 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.09 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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