Chemical ID: 5984425

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)C)NC(=O)NC(C)(C)C
Chemical ID:
5984425
Name [?]:
3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-2-(tert-butylcarbamoylamino)pentanamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)C)NC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C20H29N5O2S/c1-7-13(3)15(21-18(27)23-20(4,5)6)16(26)22-19-25-24-17(28-19)14-10-8-12(2)9-11-14/h8-11,13,15H,7H2,1-6H3,(H2,21,23,27)(H,22,25,26)
InChi Info:
AuxInfo=1/1/N:1,20,4,26,27,28,2,16,18,15,19,17,3,14,5,6,12,22,9,25,21,8,24,11,10,7,23,13/E:(4,5,6)(8,9)(10,11)/rA:28cCCCCCCONCNNCSCCCCCCCNCONCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s17;s5;s21;d22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29N5O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:13.0824
Area:648.169
Solvation:-3.12187
Coulombic:-62.275
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:403.543
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.76
LogP (Chemaxon):3.59

Name Annotations

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Descriptor Annotations

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