Chemical ID: 5890024

Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCC(C)C)N3CCN(CC3)c4ccccc4OC
Chemical ID:
5890024
Name [?]:
N-isobutyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(4-methylbenzoyl)amino-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCC(C)C)N3CCN(CC3)c4ccccc4OC
InChi [?]:
InChI=1/C30H36N4O3/c1-21(2)20-31-30(36)25-19-24(32-29(35)23-11-9-22(3)10-12-23)13-14-26(25)33-15-17-34(18-16-33)27-7-5-6-8-28(27)37-4/h5-14,19,21H,15-18,20H2,1-4H3,(H,31,36)(H,32,35)
InChi Info:
AuxInfo=1/1/N:22,23,1,37,32,33,31,34,3,7,4,6,12,13,25,29,26,28,16,20,21,2,5,11,15,14,30,35,8,17,19,10,24,27,9,18,36/E:(1,2)(9,10)(11,12)(15,16)(17,18)/rA:37nCCCCCCCCONCCCCCCCONCCCCNCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s21;s14;s24;s25;s26;s27;s24s28;s27;s30;d31;s32;d33;d30s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H36N4O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.3819
Area:781.663
Solvation:-6.15966
Coulombic:-63.8917
Bond Count [?]
All:40
Single:29
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:500.632
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.85
LogP (Chemaxon):5.65

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Descriptor Annotations

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