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Chemical ID: 6240388
Chemical ID:
6240388
Name [?]:
N-(4-methyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)naphthalene-2-carboxamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3ccc4ccccc4c3)c5ccccc5
InChi [?]:
InChI=1/C25H19N3O/c1-17-13-14-28-22(15-17)26-23(19-8-3-2-4-9-19)24(28)27-25(29)21-12-11-18-7-5-6-10-20(18)16-21/h2-16H,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,19,20,18,25,29,21,16,15,3,4,7,23,2,17,24,22,14,6,9,10,12,8,11,5,13/E:(3,4)(8,9)/rA:29nCCCCNCCNCCNCOCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s9;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19N3O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9393 |
Area: | 592.12 |
Solvation: | -2.86374 |
Coulombic: | -36.6318 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 377.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.03 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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