Chemical ID: 6009621

CCN(CC)CCN(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2ccc(cc2)Cl
Chemical ID:
6009621
Name [?]:
4-chloro-N-(2-diethylaminoethyl)-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC)CCN(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C20H27ClN4O2S/c1-5-24(6-2)11-12-25(19(27)16-7-9-17(21)10-8-16)13-18(26)23-20-22-14(3)15(4)28-20/h7-10H,5-6,11-13H2,1-4H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,19,18,2,4,23,27,24,26,6,7,9,15,16,22,25,10,20,13,28,14,12,3,8,11,21,17/E:(1,2)(5,6)(7,8)(9,10)/rA:28nCCNCCCCNCCONCNCCSCCCOCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s15;s8;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27ClN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9063
Area:658.499
Solvation:-4.55615
Coulombic:-47.8332
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:422.973
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.6
LogP (Chemaxon):2.43

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Descriptor Annotations

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