Chemical ID: 5890115

CC(C)NC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C4CCC4
Chemical ID:
5890115
Name [?]:
5-cyclobutylcarbonylamino-N-isopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-benzamide
SMILES [?]:
CC(C)NC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C4CCC4
InChi [?]:
InChI=1/C26H34N4O3/c1-18(2)27-26(32)21-17-20(28-25(31)19-7-6-8-19)11-12-22(21)29-13-15-30(16-14-29)23-9-4-5-10-24(23)33-3/h4-5,9-12,17-19H,6-8,13-16H2,1-3H3,(H,27,32)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,3,26,21,22,32,31,33,20,23,10,11,14,18,15,17,8,2,30,9,7,12,19,24,28,5,4,27,13,16,29,6,25/E:(1,2)(7,8)(13,14)(15,16)/rA:33nCCCNCOCCCCCCNCCNCCCCCCCCOCNCOCCCC/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;s31;s30s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34N4O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.5363
Area:706.963
Solvation:-6.13781
Coulombic:-60.9628
Bond Count [?]
All:36
Single:28
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:450.573
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.27
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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