Chemical ID: 6240388

Cc1ccn2c(c1)nc(c2NC(=O)c3ccc4ccccc4c3)c5ccccc5
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

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Descriptor Annotations

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