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Chemical ID: 7654447
Chemical ID:
7654447
Name [?]:
None
SMILES [?]:
CCCCN1CCC(CC1)CNC(=O)c2c3ccccc3n4c2OCCC4
InChi [?]:
InChI=1/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,19,26,17,20,7,9,4,27,6,10,25,11,8,16,21,15,13,23,12,5,22,14,24/E:(9,10)(13,14)/rA:27nCCCCNCCCCCCNCOCCCCCCCNCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d15s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H31N3O2 |
All Atoms: | 58 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7928 |
Area: | 612.342 |
Solvation: | -3.51572 |
Coulombic: | -42.1956 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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