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Chemical ID: 5927153
Chemical ID:
5927153
Name [?]:
None
SMILES [?]:
CC(c1ccccc1)NC(=O)CSc2nc3c(c4ccccc4n3Cc5cccc(c5)Cl)nn2
InChi [?]:
InChI=1/C26H22ClN5OS/c1-17(19-9-3-2-4-10-19)28-23(33)16-34-26-29-25-24(30-31-26)21-12-5-6-13-22(21)32(25)15-18-8-7-11-20(27)14-18/h2-14,17H,15-16H2,1H3,(H,28,33)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,20,21,28,27,4,8,29,19,22,31,25,12,2,26,3,30,18,23,10,17,16,14,32,9,15,33,34,24,11,13/E:(3,4)(9,10)/rA:34cCCCCCCCCNCOCSCNCCCCCCCCNCCCCCCCClNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;d18s22;s16s23;s24;s25;s26;d27;s28;d29;d26s30;s30;d17;d14s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22ClN5OS |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 15.205 |
Area: | 736.078 |
Solvation: | -3.19699 |
Coulombic: | -43.1811 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 488.005 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.32 |
LogP (Chemaxon): | 5.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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