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Chemical ID: 4633623
Chemical ID:
4633623
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nc3c(c4c(s3)CN(CC4)C)c(=O)n2c5ccc(cc5)C
InChi [?]:
InChI=1/C26H26N4O2S2/c1-16-4-8-18(9-5-16)27-22(31)15-33-26-28-24-23(20-12-13-29(3)14-21(20)34-24)25(32)30(26)19-10-6-17(2)7-11-19/h4-11H,12-15H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,34,24,3,7,30,32,4,6,29,33,23,22,20,11,2,31,5,28,17,18,9,16,15,25,13,8,14,21,27,10,26,12,19/E:(4,5)(6,7)(8,9)(10,11)/rA:34cCCCCCCCNCOCSCNCCCCSCNCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s16;d17;s15s18;s18;s20;s21;s17s22;s21;s16;d25;s13s25;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N4O2S2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.2047 |
Area: | 718.044 |
Solvation: | -3.7464 |
Coulombic: | -48.9129 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 490.642 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.99 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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