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Chemical ID: 5272973
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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