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Chemical ID: 5915733
Chemical ID:
5915733
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(3-methoxypropyl)heptanamide
SMILES [?]:
CCCCCCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C25H36N2O3S/c1-3-4-5-9-15-24(28)26(16-11-17-30-2)21-25(29)27(20-23-14-10-18-31-23)19-22-12-7-6-8-13-22/h6-8,10,12-14,18H,3-5,9,11,15-17,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,3,4,23,22,24,5,29,11,21,25,28,6,10,12,30,19,26,15,20,27,7,16,9,18,8,17,13,31/E:(7,8)(12,13)/rA:31nCCCCCCCONCCCOCCCONCCCCCCCCCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s9;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H36N2O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9991 |
Area: | 740.464 |
Solvation: | -5.51251 |
Coulombic: | -42.7994 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 444.631 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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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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