Chemical ID: 6025051

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c3ccccc3
Chemical ID:
6025051
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isobutyl-benzamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c3ccccc3
InChi [?]:
InChI=1/C26H30N2O2S/c1-20(2)16-28(26(30)23-12-8-5-9-13-23)19-25(29)27(17-22-10-6-4-7-11-22)18-24-21(3)14-15-31-24/h4-15,20H,16-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,13,29,12,14,28,30,11,15,27,31,3,4,20,9,7,18,21,2,10,26,6,16,24,8,19,17,25,5/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCSCCNCCCCCCCCOCNCCCCCOCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s21;s19;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.2312
Area:621.375
Solvation:-3.30316
Coulombic:-38.3945
Bond Count [?]
All:33
Single:23
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:434.595
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):5.01

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Descriptor Annotations

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