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Chemical ID: 3855609
Chemical ID:
3855609
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCOCC5
InChi [?]:
InChI=1/C23H25N3O3S/c27-19-14-24-22(16-6-2-1-3-7-16)21-17-8-4-5-9-18(17)30-23(21)26(19)15-20(28)25-10-12-29-13-11-25/h1-3,6-7H,4-5,8-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,20,19,3,5,21,18,26,30,27,29,9,22,4,15,16,10,23,14,7,13,8,25,12,11,24,28,17/E:(2,3)(6,7)(10,11)(12,13)/rA:30nCCCCCCCNCCONCCCCSCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s10;s12;s7d13;s14;d15;s13s16;s16;s18;s19;s15s20;s12;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94932 |
Area: | 598.527 |
Solvation: | -5.01385 |
Coulombic: | -47.4376 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 423.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.93 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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