Chemical ID: 5916127

Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(C3CC3)C(=O)c4ccc(cc4)C(C)(C)C
Chemical ID:
5916127
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclopropyl-4-tert-butyl-benzamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(C3CC3)C(=O)c4ccc(cc4)C(C)(C)C
InChi [?]:
InChI=1/C29H34N2O2S/c1-21-10-17-26(34-21)19-30(18-22-8-6-5-7-9-22)27(32)20-31(25-15-16-25)28(33)23-11-13-24(14-12-23)29(2,3)4/h5-14,17,25H,15-16,18-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,33,34,13,12,14,11,15,3,26,30,27,29,21,22,4,9,7,18,2,10,25,28,20,5,16,23,31,8,19,17,24,6/E:(2,3,4)(6,7)(8,9)(11,12)(13,14)(15,16)/rA:34nCCCCCSCNCCCCCCCCOCNCCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s20s21;s19;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N2O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.8359
Area:687.666
Solvation:-3.35571
Coulombic:-37.6842
Bond Count [?]
All:37
Single:27
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:474.659
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.58
LogP (Chemaxon):5.35

Name Annotations

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Descriptor Annotations

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