Chemical ID: 6009525

Cc1c(sc(n1)NC(=O)CN(CCCN2CCOCC2)C(=O)c3ccc(c(c3)Cl)Cl)C
Chemical ID:
6009525
Name [?]:
3,4-dichloro-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-(3-morpholinopropyl)benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CCCN2CCOCC2)C(=O)c3ccc(c(c3)Cl)Cl)C
InChi [?]:
InChI=1/C21H26Cl2N4O3S/c1-14-15(2)31-21(24-14)25-19(28)13-27(7-3-6-26-8-10-30-11-9-26)20(29)16-4-5-17(22)18(23)12-16/h4-5,12H,3,6-11,13H2,1-2H3,(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,31,13,24,25,14,12,16,20,17,19,28,10,2,3,23,26,27,8,21,5,30,29,6,7,15,11,9,22,18,4/E:(8,9)(10,11)/rA:31nCCCSCNNCOCNCCCNCCOCCCOCCCCCCClClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11;d21;s21;s23;d24;s25;d26;d23s27;s27;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26Cl2N4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.1667
Area:719.611
Solvation:-5.82355
Coulombic:-55.2392
Bond Count [?]
All:33
Single:26
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:485.428
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.33
LogP (Chemaxon):2.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue