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Chemical ID: 6007129
Chemical ID:
6007129
Name [?]:
3,5-dichloro-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN2CCOCC2)C(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C19H22Cl2N4O3S/c1-13-12-29-19(22-13)23-17(26)11-25(3-2-24-4-6-28-7-5-24)18(27)14-8-15(20)10-16(21)9-14/h8-10,12H,2-7,11H2,1H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,13,12,15,19,16,18,23,27,25,10,3,2,22,24,26,8,20,5,29,28,6,7,14,11,9,21,17,4/E:(4,5)(6,7)(8,9)(15,16)(20,21)/rA:29nCCCSCNNCOCNCCNCCOCCCOCCCCCCClCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;d20;s20;s22;d23;s24;d25;d22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22Cl2N4O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.843 |
Area: | 657.751 |
Solvation: | -5.60073 |
Coulombic: | -55.2839 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 457.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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