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Chemical ID: 5928851
Chemical ID:
5928851
Name [?]:
2,4-dimethyl-8-phenyl-N-(1,1,3,3-tetramethylbutyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cc(n2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccccc3)C
InChi [?]:
InChI=1/C23H31N3/c1-16-13-17(2)26-19(14-16)24-20(18-11-9-8-10-12-18)21(26)25-23(6,7)15-22(3,4)5/h8-14,25H,15H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,26,17,18,19,13,14,23,22,24,21,25,3,7,15,2,4,20,6,9,10,16,12,8,11,5/E:(3,4,5)(6,7)(9,10)(11,12)/rA:26nCCCCNCCNCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s15;s16;s16;s16;s9;s20;d21;s22;d23;d20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0099 |
Area: | 505.138 |
Solvation: | -1.61859 |
Coulombic: | -26.5696 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 349.512 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.01 |
LogP (Chemaxon): | 5.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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