Chemical ID: 5294728

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)SC)c5nnc(s5)CC(C)C
Chemical ID:
5294728
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)SC)c5nnc(s5)CC(C)C
InChi [?]:
InChI=1/C25H23N3O3S2/c1-13(2)11-19-26-27-25(33-19)28-21(15-6-8-16(32-4)9-7-15)20-22(29)17-12-14(3)5-10-18(17)31-23(20)24(28)30/h5-10,12-13,21H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:32,33,1,24,3,18,22,19,21,4,30,7,31,2,17,20,6,5,28,10,16,8,11,13,25,27,26,15,9,14,12,23,29/E:(1,2)(6,7)(8,9)/rA:33cCCCCCCCCOCCOCONCCCCCCCSCCNNCSCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s15;d25;s26;d27;s25s28;s28;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23N3O3S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.7095
Area:692.105
Solvation:-3.59309
Coulombic:-41.0496
Bond Count [?]
All:37
Single:26
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:477.601
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.0
LogP (Chemaxon):5.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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