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Chemical ID: 3918398
Chemical ID:
3918398
Name [?]:
4-methyl-8-(p-tolyl)-N-tert-butyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccc(cc1)c2c(n3ccc(cc3n2)C)NC(C)(C)C
InChi [?]:
InChI=1/C19H23N3/c1-13-6-8-15(9-7-13)17-18(21-19(3,4)5)22-11-10-14(2)12-16(22)20-17/h6-12,21H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,20,21,22,3,7,4,6,12,11,14,2,13,5,15,8,9,19,16,18,10/E:(3,4,5)(6,7)(8,9)/rA:22nCCCCCCCCCNCCCCCNCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s13;s9;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4978 |
Area: | 480.821 |
Solvation: | -1.52272 |
Coulombic: | -25.6262 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 293.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.17 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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