Chemical ID: 6033866

CC(C)NC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
6033866
Name [?]:
3,4-dichloro-N-[[4-(isopropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
CC(C)NC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C20H24Cl2N4O4S/c1-12(2)23-17(27)9-14-11-31-20(24-14)25-18(28)10-26(6-7-30-3)19(29)13-4-5-15(21)16(22)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,23,27)(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,21,25,26,18,19,29,7,16,9,2,24,8,27,28,5,14,22,11,31,30,4,12,13,17,6,15,23,20,10/E:(1,2)/rA:31nCCCNCOCCCSCNNCOCNCCOCCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s19;s20;s17;d22;s22;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24Cl2N4O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.4124
Area:722.782
Solvation:-7.65709
Coulombic:-68.4327
Bond Count [?]
All:32
Single:24
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:487.401
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.36
LogP (Chemaxon):2.57

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