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Chemical ID: 4245076
Chemical ID:
4245076
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nc(c(s5)C)C
InChi [?]:
InChI=1/C23H18N2O3S/c1-12-8-10-15(11-9-12)19-18-20(26)16-6-4-5-7-17(16)28-21(18)22(27)25(19)23-24-13(2)14(3)29-23/h4-11,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,14,15,13,16,3,7,4,6,2,25,26,5,12,17,9,8,10,19,20,23,24,22,11,21,18,27/E:(8,9)(10,11)/rA:29cCCCCCCCCCCOCCCCCCOCCONCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;d23;s24;d25;s23s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.391 |
Area: | 589.603 |
Solvation: | -3.34906 |
Coulombic: | -40.9641 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 402.467 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.4 |
LogP (Chemaxon): | 4.23 |
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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