Chemical ID: 6007129

Cc1csc(n1)NC(=O)CN(CCN2CCOCC2)C(=O)c3cc(cc(c3)Cl)Cl
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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Descriptor Annotations

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