Chemical ID: 7392195

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)SC)CCc5ccc(cc5)OC
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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