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Chemical ID: 3887663
Chemical ID:
3887663
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCCC5
InChi [?]:
InChI=1/C26H31N3O2S/c1-18-10-12-19(13-11-18)25-24-20-8-4-5-9-21(20)32-26(24)29(22(30)16-27-25)17-23(31)28-14-6-2-3-7-15-28/h10-13H,2-9,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,30,21,20,28,31,22,19,3,7,4,6,27,32,10,23,2,5,16,17,11,24,15,8,14,9,26,13,12,25,18/E:(2,3)(6,7)(10,11)(12,13)(14,15)/rA:32nCCCCCCCCNCCONCCCCSCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s11;s13;s8d14;s15;d16;s14s17;s17;s19;s20;s16s21;s13;s23;d24;s24;s26;s27;s28;s29;s30;s26s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31N3O2S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4133 |
Area: | 637.204 |
Solvation: | -3.51683 |
Coulombic: | -40.1881 |
Bond Count [?]
All: | 36 |
Single: | 28 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 449.609 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.99 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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