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Chemical ID: 5914892
Chemical ID:
5914892
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-sec-butyl-thiophene-2-carboxamide
SMILES [?]:
CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3cccs3
InChi [?]:
InChI=1/C26H32N2O4S2/c1-5-19(2)28(26(30)24-9-7-15-34-24)18-25(29)27(17-21-8-6-14-33-21)13-12-20-10-11-22(31-3)23(16-20)32-4/h6-11,14-16,19H,5,12-13,17-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,21,19,2,25,32,24,31,13,14,11,10,26,33,17,22,6,3,12,23,15,16,30,7,28,9,5,8,29,20,18,27,34/rA:34cCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCCS/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s9;s22;d23;s24;d25;s23s26;s5;d28;s28;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O4S2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5629 |
Area: | 727.911 |
Solvation: | -6.63487 |
Coulombic: | -50.9414 |
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: | 3.35 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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