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Chemical ID: 5890337
Chemical ID:
5890337
Name [?]:
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-piperidylcarbonyl)phenyl]cyclopropanecarboxamide
SMILES [?]:
COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)NC(=O)C5CC5
InChi [?]:
InChI=1/C27H34N4O3/c1-34-25-8-4-3-7-24(25)30-17-15-29(16-18-30)23-12-11-21(28-26(32)20-9-10-20)19-22(23)27(33)31-13-5-2-6-14-31/h3-4,7-8,11-12,19-20H,2,5-6,9-10,13-18H2,1H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,26,6,5,25,27,7,4,33,34,17,16,24,28,11,13,10,14,19,32,18,20,15,8,3,30,21,29,12,9,23,31,22,2/E:(5,6)(9,10)(13,14)(15,16)(17,18)/rA:34nCOCCCCCCNCCNCCCCCCCCCONCCCCCNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;s23s27;s18;s29;d30;s30;s32;s32s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H34N4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4117 |
Area: | 705.254 |
Solvation: | -6.21966 |
Coulombic: | -56.6524 |
Bond Count [?]
All: | 38 |
Single: | 30 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 462.584 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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