Chemical ID: 5918627

Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)NCc3ccccc3
Chemical ID:
5918627
Name [?]:
N-benzyl-2-(benzylcarbamoyl-isobutyl-amino)-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C27H33N3O2S/c1-21(2)17-30(27(32)28-16-23-10-6-4-7-11-23)20-26(31)29(18-24-12-8-5-9-13-24)19-25-15-14-22(3)33-25/h4-15,21H,16-20H2,1-3H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:22,23,1,31,13,30,32,12,14,29,33,11,15,3,4,27,20,9,7,18,21,2,28,10,5,16,24,26,8,19,17,25,6/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:33nCCCCCSCNCCCCCCCCOCNCCCCCONCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s21;s19;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33N3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.5004
Area:726.211
Solvation:-3.65487
Coulombic:-51.4761
Bond Count [?]
All:35
Single:25
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:463.636
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.93
LogP (Chemaxon):4.56

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Descriptor Annotations

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