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Chemical ID: 6449573
Chemical ID:
6449573
Name [?]:
None
SMILES [?]:
C1CCC(CC1)NC(=NC2CCCCC2)NC34CC5CC(C3)C(C5)C4
InChi [?]:
InChI=1/C22H37N3/c1-3-7-19(8-4-1)23-21(24-20-9-5-2-6-10-20)25-22-13-16-11-17(14-22)18(12-16)15-22/h16-20H,1-15H2,(H2,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,3,5,11,15,20,24,18,22,25,19,21,23,4,10,8,17,7,9,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)(17,18)(19,20)(23,24)/rA:25cCCCCCCNCNCCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;w8;s9;s10;s11;s12;s13;s10s14;s8;s16;s17;s18;s19;s20;s17s21;s21;s19s23;s17s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H37N3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.5665 |
Area: | 551.593 |
Solvation: | -1.22337 |
Coulombic: | -31.6975 |
Bond Count [?]
All: | 29 |
Single: | 28 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.549 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.11 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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