Chemical ID: 5913897

Cc1cccc(c1)C(=O)N(CC(=O)N(Cc2ccc3c(c2)OCO3)Cc4ccco4)C5CC5
Chemical ID:
5913897
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-N-cyclopropyl-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CC(=O)N(Cc2ccc3c(c2)OCO3)Cc4ccco4)C5CC5
InChi [?]:
InChI=1/C26H26N2O5/c1-18-4-2-5-20(12-18)26(30)28(21-8-9-21)16-25(29)27(15-22-6-3-11-31-22)14-19-7-10-23-24(13-19)33-17-32-23/h2-7,10-13,21H,8-9,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,28,3,5,27,17,32,33,18,29,7,21,15,25,11,23,2,16,6,31,26,19,20,12,8,14,10,13,9,30,24,22/E:(8,9)/rA:33nCCCCCCCCONCCONCCCCCCCOCOCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s14;s25;d26;s27;d28;s26s29;s10;s31;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.5262
Area:636.207
Solvation:-5.37898
Coulombic:-57.9485
Bond Count [?]
All:37
Single:27
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:446.495
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.74
LogP (Chemaxon):3.41

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Descriptor Annotations

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