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Chemical ID: 5984049
Chemical ID:
5984049
Name [?]:
2-methoxy-N-[1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C23H26N4O4S/c1-5-14(2)19(24-20(28)17-11-6-7-12-18(17)31-4)21(29)25-23-27-26-22(32-23)15-9-8-10-16(13-15)30-3/h6-14,19H,5H2,1-4H3,(H,24,28)(H,25,27,29)
InChi Info:
AuxInfo=1/1/N:1,4,21,32,2,27,28,16,15,17,26,29,19,3,14,18,25,30,5,23,6,12,9,22,8,11,10,24,7,20,31,13/rA:32cCCCCCCONCNNCSCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s18;s20;s5;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N4O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.9618 |
Area: | 702.333 |
Solvation: | -6.59652 |
Coulombic: | -62.436 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 454.543 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.93 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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