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Chemical ID: 5324963
Chemical ID:
5324963
Name [?]:
N-[3-chloro-2-(4-ethylpiperazin-1-yl)-phenyl]-2,2-dimethyl-propanamide
SMILES [?]:
CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C17H26ClN3O/c1-5-20-9-11-21(12-10-20)15-13(18)7-6-8-14(15)19-16(22)17(2,3)4/h6-8H,5,9-12H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,2,12,13,11,4,8,5,7,14,10,9,17,19,15,16,3,6,18/E:(2,3,4)(9,10)(11,12)/rA:22nCCNCCNCCCCCCCCClNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;d12;d9s13;s14;s10;s16;d17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26ClN3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7057 |
Area: | 515.732 |
Solvation: | -2.18759 |
Coulombic: | -33.7476 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.861 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.92 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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