Chemical ID: 5914200

CCCCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccccc2)Cc3cccs3)C(C)(C)C
Chemical ID:
5914200
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-4-butyl-N-tert-butyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccccc2)Cc3cccs3)C(C)(C)C
InChi [?]:
InChI=1/C29H36N2O2S/c1-5-6-11-23-15-17-25(18-16-23)28(33)31(29(2,3)4)22-27(32)30(21-26-14-10-19-34-26)20-24-12-8-7-9-13-24/h7-10,12-19H,5-6,11,20-22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,33,34,2,3,22,21,23,28,4,20,24,27,6,10,7,9,29,18,25,14,5,19,8,26,15,11,31,17,13,16,12,30/E:(2,3,4)(8,9)(12,13)(15,16)(17,18)/rA:34nCCCCCCCCCCCONCCONCCCCCCCCCCCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s17;s25;d26;s27;d28;s26s29;s13;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H36N2O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.6413
Area:722.708
Solvation:-3.42637
Coulombic:-38.8457
Bond Count [?]
All:36
Single:26
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:476.674
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.7
LogP (Chemaxon):5.82

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Descriptor Annotations

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