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Chemical ID: 5890077
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
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Experimental Annotations
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Descriptor Annotations
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