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Chemical ID: 5913897
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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