Chemical ID: 5890077

CC(C)NC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)c4ccc(cc4)OC
Chemical ID:
5890077
Name [?]:
N-isopropyl-5-(4-methoxybenzoyl)amino-2-[4-(2-methoxyphenyl)piperazin-1-yl]-benzamide
SMILES [?]:
CC(C)NC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C29H34N4O4/c1-20(2)30-29(35)24-19-22(31-28(34)21-9-12-23(36-3)13-10-21)11-14-25(24)32-15-17-33(18-16-32)26-7-5-6-8-27(26)37-4/h5-14,19-20H,15-18H2,1-4H3,(H,30,35)(H,31,34)
InChi Info:
AuxInfo=1/1/N:1,3,37,26,21,22,20,23,31,35,10,32,34,11,14,18,15,17,8,2,30,9,33,7,12,19,24,28,5,4,27,13,16,29,6,36,25/E:(1,2)(9,10)(12,13)(15,16)(17,18)/rA:37nCCCNCOCCCCCCNCCNCCCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s24;s25;s9;s27;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N4O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:11.7778
Area:771.507
Solvation:-7.50986
Coulombic:-69.5726
Bond Count [?]
All:40
Single:29
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:502.605
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:5.13
LogP (Chemaxon):4.47

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue