Chemical ID: 6004167

CC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3cccc(c3)OC
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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Descriptor Annotations

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