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Chemical ID: 7392195
Chemical ID:
7392195
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)SC)CCc5ccc(cc5)OC
InChi [?]:
InChI=1/C28H24ClNO4S/c1-16-14-23-21(15-22(16)29)26(31)24-25(18-6-10-20(35-3)11-7-18)30(28(32)27(24)34-23)13-12-17-4-8-19(33-2)9-5-17/h4-11,14-15,25H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,25,29,33,19,23,30,32,20,22,27,26,3,6,2,28,18,31,21,5,7,4,11,17,9,12,14,8,16,10,15,34,13,24/E:(4,5)(6,7)(8,9)(10,11)/rA:35cCCCCCCCClCOCCOCONCCCCCCCSCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s16;s26;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24ClNO4S |
All Atoms: | 59 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.7244 |
Area: | 743.182 |
Solvation: | -4.85518 |
Coulombic: | -44.4449 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 506.013 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.79 |
LogP (Chemaxon): | 6.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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