Chemical ID: 6014504

Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c3cccc(c3)Cl
Chemical ID:
6014504
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3-chloro-N-isobutyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C26H29ClN2O3/c1-19(2)15-29(26(31)22-10-7-11-23(27)14-22)18-25(30)28(16-21-8-5-4-6-9-21)17-24-13-12-20(3)32-24/h4-14,19H,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,13,12,14,28,11,15,27,29,3,4,31,20,9,7,18,21,2,10,26,30,5,16,24,32,8,19,17,25,6/E:(1,2)(5,6)(8,9)/rA:32nCCCCCOCNCCCCCCCCOCNCCCCCOCCCCCCCl/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;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29ClN2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.1427
Area:692.966
Solvation:-4.18149
Coulombic:-43.8344
Bond Count [?]
All:34
Single:24
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:452.973
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.94
LogP (Chemaxon):4.61

Name Annotations

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Descriptor Annotations

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