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Chemical ID: 3865207
Chemical ID:
3865207
Name [?]:
N-cyclopentyl-4-methyl-8-phenyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NC3CCCC3)c4ccccc4
InChi [?]:
InChI=1/C19H21N3/c1-14-11-12-17-21-18(15-7-3-2-4-8-15)19(22(17)13-14)20-16-9-5-6-10-16/h2-4,7-8,11-13,16,20H,5-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,14,15,18,22,13,16,3,4,10,2,17,12,5,7,8,11,6,9/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCNCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s13;s14;s12s15;s7;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4535 |
Area: | 479.461 |
Solvation: | -1.53303 |
Coulombic: | -26.2242 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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