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Chemical ID: 5846749
Chemical ID:
5846749
Name [?]:
2-(azepan-1-ylcarbonylmethoxy)-N-(benzo[1,3]dioxol-5-ylmethyl)acetamide
SMILES [?]:
c1cc2c(cc1CNC(=O)COCC(=O)N3CCCCCC3)OCO2
InChi [?]:
InChI=1/C18H24N2O5/c21-17(11-23-12-18(22)20-7-3-1-2-4-8-20)19-10-14-5-6-15-16(9-14)25-13-24-15/h5-6,9H,1-4,7-8,10-13H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:19,20,18,21,1,2,17,22,5,7,11,13,24,6,3,4,9,14,8,16,10,15,12,25,23/E:(1,2)(3,4)(7,8)/rA:25nCCCCCCCNCOCOCCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s16s21;s4;s23;s3s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51499 |
Area: | 576.491 |
Solvation: | -7.89727 |
Coulombic: | -59.9959 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.2 |
LogP (Chemaxon): | 0.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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