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Chemical ID: 7081653
Chemical ID:
7081653
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)c5nc(c(s5)C)C
InChi [?]:
InChI=1/C23H18N2O4S/c1-11-7-8-17-16(9-11)20(27)18-19(14-5-4-6-15(26)10-14)25(22(28)21(18)29-17)23-24-12(2)13(3)30-23/h4-10,19,26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,29,19,18,20,3,4,7,22,2,26,27,17,21,6,5,10,16,8,11,13,24,25,15,23,9,14,12,28/rA:30cCCCCCCCCOCCOCONCCCCCCCOCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s15;d24;s25;d26;s24s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O4S |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9643 |
Area: | 605.6 |
Solvation: | -4.17574 |
Coulombic: | -55.9708 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 418.466 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.99 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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