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Chemical ID: 6004167
Chemical ID:
6004167
Name [?]:
3-methoxy-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C22H24N4O4S/c1-13(2)18(23-19(27)15-6-5-7-17(12-15)30-4)20(28)24-22-26-25-21(31-22)14-8-10-16(29-3)11-9-14/h5-13,18H,1-4H3,(H,23,27)(H,24,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,20,31,26,25,27,14,18,15,17,29,2,13,24,16,28,4,22,5,11,8,21,7,10,9,23,6,19,30,12/E:(1,2)(8,9)(10,11)/rA:31cCCCCCONCNNCSCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s4;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1116 |
Area: | 686.473 |
Solvation: | -6.05019 |
Coulombic: | -62.7566 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 440.517 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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