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Chemical ID: 6024138
Chemical ID:
6024138
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)CC
InChi [?]:
InChI=1/C24H34N2O4S/c1-6-12-25(23(27)7-2)17-24(28)26(16-22-18(3)11-14-31-22)13-10-19-8-9-20(29-4)21(15-19)30-5/h8-9,11,14-15H,6-7,10,12-13,16-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,31,27,20,18,2,30,12,13,10,24,3,9,25,16,21,5,23,11,14,15,22,28,6,4,8,29,7,19,17,26/rA:31nCCCNCCONCCCCCCCCOCOCCCCCCSCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s23;s4;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N2O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5164 |
Area: | 699.791 |
Solvation: | -6.97833 |
Coulombic: | -47.4035 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 446.604 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.55 |
LogP (Chemaxon): | 3.25 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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