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Chemical ID: 6009621
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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