Chemical ID: 6000996

CC(C)CN(CC(=O)Nc1nccs1)C(=O)C(c2ccccc2)c3ccccc3
Chemical ID:
6000996
Name [?]:
2-[(2,2-diphenylacetyl)-isobutyl-amino]-N-thiazol-2-yl-acetamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1nccs1)C(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C23H25N3O2S/c1-17(2)15-26(16-20(27)25-23-24-13-14-29-23)22(28)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,21H,15-16H2,1-2H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,21,27,20,22,26,28,19,23,25,29,12,13,4,6,2,18,24,7,17,15,10,11,9,5,8,16,14/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(18,19)/rA:29nCCCCNCCONCNCCSCOCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s5;d15;s15;s17;s18;d19;s20;d21;d18s22;s17;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.8263
Area:629.566
Solvation:-4.91286
Coulombic:-44.1351
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.53
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):4.64

Name Annotations

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Descriptor Annotations

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