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Chemical ID: 5916322
Chemical ID:
5916322
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-butanamide
SMILES [?]:
CCCC(=O)N(CCC)CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C
InChi [?]:
InChI=1/C22H30N2O2S/c1-4-9-21(25)23(14-5-2)17-22(26)24(15-19-10-7-6-8-11-19)16-20-13-12-18(3)27-20/h6-8,10-13H,4-5,9,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,27,2,8,18,17,19,3,16,20,24,23,7,14,21,10,25,15,22,4,11,6,13,5,12,26/E:(7,8)(10,11)/rA:27nCCCCONCCCCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;s22s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1522 |
Area: | 635.683 |
Solvation: | -3.73988 |
Coulombic: | -34.8775 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 386.552 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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