Chemical ID: 3914572

COc1ccc(cc1OC)C(C(=O)NC2CCCCC2)N(Cc3cccs3)C(=O)c4cccs4
Chemical ID:
3914572
Name [?]:
N-[cyclohexylcarbamoyl-(3,4-dimethoxyphenyl)-methyl]-N-(2-thienylmethyl)thiophene-2-carboxamide
SMILES [?]:
COc1ccc(cc1OC)C(C(=O)NC2CCCCC2)N(Cc3cccs3)C(=O)c4cccs4
InChi [?]:
InChI=1/C26H30N2O4S2/c1-31-21-13-12-18(16-22(21)32-2)24(25(29)27-19-8-4-3-5-9-19)28(17-20-10-6-14-33-20)26(30)23-11-7-15-34-23/h6-7,10-16,19,24H,3-5,8-9,17H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,25,32,16,20,24,31,5,4,26,33,7,22,6,15,23,3,8,30,11,12,28,14,21,13,29,2,9,27,34/E:(4,5)(8,9)/rA:34cCOCCCCCCOCCCONCCCCCCNCCCCCSCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s11;s21;s22;d23;s24;d25;s23s26;s21;d28;s28;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O4S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.5665
Area:673.674
Solvation:-6.27531
Coulombic:-56.2327
Bond Count [?]
All:37
Single:28
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:498.659
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.5
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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