Chemical ID: 5908407

CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)Cc3ccccc3
Chemical ID:
5908407
Name [?]:
2-[(2-phenylacetyl)-propyl-amino]-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)Cc3ccccc3
InChi [?]:
InChI=1/C22H23N3O2S/c1-2-13-25(21(27)14-17-9-5-3-6-10-17)15-20(26)24-22-23-19(16-28-22)18-11-7-4-8-12-18/h3-12,16H,2,13-15H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,26,17,25,27,16,18,24,28,15,19,3,22,5,12,23,14,11,6,20,9,10,8,4,7,21,13/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCCNCCONCNCCSCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s4;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6634
Area:641.238
Solvation:-4.36756
Coulombic:-44.3605
Bond Count [?]
All:30
Single:20
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.503
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.74
LogP (Chemaxon):4.54

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Descriptor Annotations

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