Chemical ID: 5272973

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nnc(s4)CC(C)C)c5cccc(c5)OC
Chemical ID:
5272973
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nnc(s4)CC(C)C)c5cccc(c5)OC
InChi [?]:
InChI=1/C26H25N3O4S/c1-13(2)9-20-27-28-26(34-20)29-22(16-7-6-8-17(12-16)32-5)21-23(30)18-10-14(3)15(4)11-19(18)33-24(21)25(29)31/h6-8,10-13,22H,9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:25,26,1,8,34,29,28,30,23,3,6,32,24,2,7,27,31,4,5,21,11,14,12,10,16,18,20,19,15,13,17,33,9,22/E:(1,2)/rA:34cCCCCCCCCOCCCOCNCOCNNCSCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s21;s23;s24;s24;s14;s27;d28;s29;d30;d27s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25N3O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.6156
Area:694.882
Solvation:-4.75648
Coulombic:-46.6459
Bond Count [?]
All:38
Single:27
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:475.561
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.61
LogP (Chemaxon):4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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