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Chemical ID: 7093148
Chemical ID:
7093148
Name [?]:
1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl-pyrrolidin-2-yl-methanone
SMILES [?]:
C1CC(NC1)C(=O)N2CCOCCOCCOCCOCCOCC2
InChi [?]:
InChI=1/C17H32N2O6/c20-17(16-2-1-3-18-16)19-4-6-21-8-10-23-12-14-25-15-13-24-11-9-22-7-5-19/h16,18H,1-15H2
InChi Info:
AuxInfo=1/0/N:1,2,5,9,25,10,24,12,22,13,21,15,19,16,18,3,6,4,8,7,11,23,14,20,17/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(21,22)(23,24)/rA:25cCCCNCCONCCOCCOCCOCCOCCOCC/rB:s1;s2;s3;s1s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H32N2O6 |
All Atoms: | 57 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 3.70024 |
Area: | 555.019 |
Solvation: | -10.1752 |
Coulombic: | -62.9125 |
Bond Count [?]
All: | 26 |
Single: | 25 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 360.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | -1.41 |
LogP (Chemaxon): | -1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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