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Chemical ID: 7693301
Chemical ID:
7693301
Name [?]:
None
SMILES [?]:
CC(C(C)(C)C)NCc1ccc(c(c1)OC)OCC(=O)NC2CCCCC2
InChi [?]:
InChI=1/C22H36N2O3/c1-16(22(2,3)4)23-14-17-11-12-19(20(13-17)26-5)27-15-21(25)24-18-9-7-6-8-10-18/h11-13,16,18,23H,6-10,14-15H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,4,5,6,16,25,24,26,23,27,10,11,14,8,18,2,9,22,12,13,19,3,7,21,20,15,17/E:(2,3,4)(7,8)(9,10)/rA:27cCCCCCCNCCCCCCCOCOCCONCCCCCC/rB:s1;s2;s3;s3;s3;s2;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s18;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H36N2O3 |
All Atoms: | 63 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.84309 |
Area: | 645.524 |
Solvation: | -6.29501 |
Coulombic: | -45.0865 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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