Chemical ID: 6003025

Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)COc3ccccc3
Chemical ID:
6003025
Name [?]:
2-[cyclohexyl-(2-phenoxyacetyl)-amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)COc3ccccc3
InChi [?]:
InChI=1/C20H25N3O3S/c1-15-14-27-20(21-15)22-18(24)12-23(16-8-4-2-5-9-16)19(25)13-26-17-10-6-3-7-11-17/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,15,25,14,16,24,26,13,17,23,27,10,20,3,2,12,22,8,18,5,6,7,11,9,19,21,4/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCSCNNCOCNCCCCCCCOCOCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s11;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.58461
Area:611.118
Solvation:-5.69334
Coulombic:-49.8656
Bond Count [?]
All:29
Single:22
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:387.497
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.94
LogP (Chemaxon):3.06

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Descriptor Annotations

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