Chemical ID: 6033692

COCCN(CC(=O)Nc1nc(cs1)CC(=O)N2CCOCC2)C(=O)c3ccc(cc3Cl)Cl
Chemical ID:
6033692
Name [?]:
2,4-dichloro-N-(2-methoxyethyl)-N-[[4-(morpholinocarbonylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
COCCN(CC(=O)Nc1nc(cs1)CC(=O)N2CCOCC2)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H24Cl2N4O5S/c1-31-7-4-27(20(30)16-3-2-14(22)10-17(16)23)12-18(28)25-21-24-15(13-33-21)11-19(29)26-5-8-32-9-6-26/h2-3,10,13H,4-9,11-12H2,1H3,(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,27,4,19,23,3,20,22,30,15,6,13,29,12,26,31,7,16,24,10,33,32,11,9,18,5,8,17,25,2,21,14/E:(5,6)(8,9)/rA:33nCOCCNCCONCNCCSCCONCCOCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;s21;s18s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24Cl2N4O5S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:8.49267
Area:734.377
Solvation:-9.86674
Coulombic:-70.2877
Bond Count [?]
All:35
Single:27
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:515.411
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.22
LogP (Chemaxon):1.72

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Descriptor Annotations

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