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Chemical ID: 6025366
Chemical ID:
6025366
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)propanamide
SMILES [?]:
CCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
InChi [?]:
InChI=1/C22H30N2O3S/c1-4-21(25)23(12-8-13-27-3)17-22(26)24(15-19-9-6-5-7-10-19)16-20-18(2)11-14-28-20/h5-7,9-11,14H,4,8,12-13,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,10,2,19,18,20,7,17,21,25,6,8,26,15,22,11,24,16,23,3,12,5,14,4,13,9,27/E:(6,7)(9,10)/rA:28nCCCONCCCOCCCONCCCCCCCCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s14;s22;d23;s24;d25;s23s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6948 |
Area: | 640.148 |
Solvation: | -5.30891 |
Coulombic: | -41.4289 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 402.551 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.58 |
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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