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Chemical ID: 6024153
Chemical ID:
6024153
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-thiophene-2-carboxamide
SMILES [?]:
CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)c3cccs3
InChi [?]:
InChI=1/C26H32N2O4S2/c1-5-12-28(26(30)23-7-6-14-33-23)18-25(29)27(17-24-19(2)11-15-34-24)13-10-20-8-9-21(31-3)22(16-20)32-4/h6-9,11,14-16H,5,10,12-13,17-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,20,18,2,32,31,12,13,10,24,3,9,33,25,16,21,5,23,11,14,15,30,22,6,28,8,4,7,29,19,17,34,26/rA:34nCCCNCCONCCCCCCCCOCOCCCCCCSCCOCCCCS/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;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O4S2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1584 |
Area: | 721.526 |
Solvation: | -6.87972 |
Coulombic: | -50.2988 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 500.675 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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