Chemical ID: 5324963

CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)C(C)(C)C
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

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Descriptor Annotations

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