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Chemical ID: 6217105
Chemical ID:
6217105
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)Nc3nc-4c(s3)CCc5c4cccc5
InChi [?]:
InChI=1/C25H20N2OS/c28-24(22(18-10-3-1-4-11-18)19-12-5-2-6-13-19)27-25-26-23-20-14-8-7-9-17(20)15-16-21(23)29-25/h1-14,22H,15-16H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,28,27,29,3,5,9,13,26,23,22,24,4,8,25,20,7,19,14,17,18,16,15,21/E:(1,2)(3,4,5,6)(10,11,12,13)(18,19)/rA:29nCCCCCCCCCCCCCCONCNCCSCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;s23;s19s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0236 |
Area: | 606.847 |
Solvation: | -3.14759 |
Coulombic: | -30.4027 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 396.505 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.83 |
LogP (Chemaxon): | 6.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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