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Chemical ID: 3855575
Chemical ID:
3855575
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCC5
InChi [?]:
InChI=1/C28H35N3O2S/c1-28(2,3)20-13-11-19(12-14-20)26-25-21-9-5-6-10-22(21)34-27(25)31(23(32)17-29-26)18-24(33)30-15-7-4-8-16-30/h11-14H,4-10,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,32,24,23,31,33,25,22,7,9,6,10,30,34,13,26,8,5,19,20,14,27,18,11,17,2,12,29,16,15,28,21/E:(1,2,3)(7,8)(11,12)(13,14)(15,16)/rA:34nCCCCCCCCCCCNCCONCCCCSCCCCCCONCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;d14;s14;s16;s11d17;s18;d19;s17s20;s20;s22;s23;s19s24;s16;s26;d27;s27;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H35N3O2S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5656 |
Area: | 683.523 |
Solvation: | -3.52243 |
Coulombic: | -40.7929 |
Bond Count [?]
All: | 38 |
Single: | 30 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 477.663 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.01 |
LogP (Chemaxon): | 4.43 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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