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Chemical ID: 3887681
Chemical ID:
3887681
Name [?]:
None
SMILES [?]:
CCOC(=O)C(C)N1c2c(c3c(s2)CCCC3)C(=NCC1=O)c4cccc(c4)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-4-28-23(27)15(3)25-19(26)13-24-21(16-9-7-8-14(2)12-16)20-17-10-5-6-11-18(17)29-22(20)25/h7-9,12,15H,4-6,10-11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,7,2,16,15,25,26,24,17,14,28,20,27,6,23,11,12,21,10,18,9,4,19,8,22,5,3,13/rA:29cCCOCOCCNCCCCSCCCCCNCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s9s12;s12;s14;s15;s11s16;s10;d18;s19;s8s20;d21;s18;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7779 |
Area: | 601.382 |
Solvation: | -3.25662 |
Coulombic: | -43.1409 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 410.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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