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Chemical ID: 4330081
Chemical ID:
4330081
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2CCn3c4ccc(cc4c5c3C2CCC5)C6=CCCC6
InChi [?]:
InChI=1/C26H28N2/c1-2-7-19(8-3-1)18-27-15-16-28-24-14-13-21(20-9-4-5-10-20)17-23(24)22-11-6-12-25(27)26(22)28/h1-3,7-9,13-14,17,25H,4-6,10-12,15-16,18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,26,27,22,3,5,25,28,23,21,14,13,9,10,16,7,4,24,15,18,17,12,20,19,8,11/E:(2,3)(7,8)/rA:28cCCCCCCCNCCNCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s11d18;s8s19;s20;s21;s18s22;s15;d24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.5321 |
Area: | 580.58 |
Solvation: | -1.98244 |
Coulombic: | -14.3789 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 368.514 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.16 |
LogP (Chemaxon): | 5.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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