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Chemical ID: 5911997
Chemical ID:
5911997
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-N-cyclopropyl-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C4CC4
InChi [?]:
InChI=1/C22H26N2O5/c1-15(2)22(26)24(17-6-7-17)13-21(25)23(12-18-4-3-9-27-18)11-16-5-8-19-20(10-16)29-14-28-19/h3-5,8-10,15,17H,6-7,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,23,13,28,29,14,25,17,11,21,7,19,2,12,27,22,15,16,8,4,10,6,9,5,26,20,18/E:(1,2)(6,7)/rA:29nCCCCONCCONCCCCCCCOCOCCCCCOCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s10;s21;d22;s23;d24;s22s25;s6;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4746 |
Area: | 597.152 |
Solvation: | -5.45421 |
Coulombic: | -55.4672 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 398.452 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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