Chemical ID: 5926940

CC(C)(C(=O)Nc1nnc(s1)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3OC)OC
Chemical ID:
5926940
Name [?]:
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1-methyl-ethyl]-2,4-dimethoxy-benzamide
SMILES [?]:
CC(C)(C(=O)Nc1nnc(s1)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C21H21ClN4O4S/c1-21(2,24-17(27)15-10-9-14(29-3)11-16(15)30-4)19(28)23-20-26-25-18(31-20)12-5-7-13(22)8-6-12/h5-11H,1-4H3,(H,24,27)(H,23,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,31,29,13,17,14,16,24,23,26,12,15,25,22,27,20,10,4,7,2,18,6,19,9,8,21,5,30,28,11/E:(1,2)(5,6)(7,8)/rA:31nCCCCONCNNCSCCCCCCClNCOCCCCCCOCOC/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s15;s2;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21ClN4O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.5567
Area:692.683
Solvation:-6.76041
Coulombic:-61.4567
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:460.935
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.44
LogP (Chemaxon):2.99

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Descriptor Annotations

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