Chemical ID: 5881951

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3)NC(=O)CNC(=O)c4ccc5ccccc5c4
Chemical ID:
5881951
Name [?]:
N-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]carbamoylmethyl]naphthalene-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3)NC(=O)CNC(=O)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C30H26N4O2/c1-20-12-15-27(21(2)16-20)34-28(18-26(33-34)23-9-4-3-5-10-23)32-29(35)19-31-30(36)25-14-13-22-8-6-7-11-24(22)17-25/h3-18H,19H2,1-2H3,(H,31,36)(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,8,17,16,18,32,33,31,15,19,34,3,29,28,4,7,36,11,23,2,6,30,14,35,27,12,5,10,21,25,24,20,13,9,22,26/E:(4,5)(9,10)/rA:36nCCCCCCCCNCCCNCCCCCCNCOCNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s10;s20;d21;s21;s23;s24;d25;s25;s27;d28;s29;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26N4O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:15.0082
Area:742.435
Solvation:-3.55269
Coulombic:-51.6912
Bond Count [?]
All:40
Single:25
Double:15
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:474.553
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.58
LogP (Chemaxon):5.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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