Chemical ID: 6762748

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5ccc(c(c5)OC)OC
Chemical ID:
6762748
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C24H20N2O5S/c1-12-9-15-17(10-13(12)2)31-22-19(21(15)27)20(26(23(22)28)24-25-7-8-32-24)14-5-6-16(29-3)18(11-14)30-4/h5-11,20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,32,30,24,25,20,21,3,6,28,2,7,23,4,26,5,27,11,14,12,10,16,18,19,15,13,17,31,29,9,22/rA:32cCCCCCCCCOCCCOCNCOCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s14;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O5S
All Atoms:52
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:8.95132
Area:635.083
Solvation:-6.92575
Coulombic:-53.0713
Bond Count [?]
All:36
Single:25
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:448.492
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.99
LogP (Chemaxon):4.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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