Chemical ID: 5294167

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)c5nnc(s5)CC(C)C
Chemical ID:
5294167
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)c5nnc(s5)CC(C)C
InChi [?]:
InChI=1/C24H21N3O4S/c1-12(2)9-18-25-26-24(32-18)27-20(14-5-4-6-15(28)11-14)19-21(29)16-10-13(3)7-8-17(16)31-22(19)23(27)30/h4-8,10-12,20,28H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:31,32,1,19,18,20,3,4,29,7,22,30,2,17,21,6,5,27,10,16,8,11,13,24,26,25,15,23,9,14,12,28/E:(1,2)/rA:32cCCCCCCCCOCCOCONCCCCCCCOCNNCSCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s15;d24;s25;d26;s24s27;s27;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.0076
Area:651.58
Solvation:-4.28186
Coulombic:-55.6563
Bond Count [?]
All:36
Single:25
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:447.507
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.86
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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