Chemical ID: 5928411

Cc1cccc(c1)c2nnc(s2)NC(=O)CN(C(C)C)C(=O)CC(C)CC(C)(C)C
Chemical ID:
5928411
Name [?]:
N-isopropyl-3,5,5-trimethyl-N-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoylmethyl]hexanamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)CN(C(C)C)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C23H34N4O2S/c1-15(2)27(20(29)12-17(4)13-23(5,6)7)14-19(28)24-22-26-25-21(30-22)18-10-8-9-16(3)11-18/h8-11,15,17H,12-14H2,1-7H3,(H,24,26,28)
InChi Info:
AuxInfo=1/1/N:19,20,1,25,28,29,30,4,3,5,7,23,26,16,18,2,24,6,14,21,8,11,27,13,9,10,17,15,22,12/E:(1,2)(5,6,7)/rA:30cCCCCCCCCNNCSNCOCNCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;s18;s17;d21;s21;s23;s24;s24;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H34N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.1914
Area:693.434
Solvation:-4.1444
Coulombic:-42.6925
Bond Count [?]
All:31
Single:24
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:430.608
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.68
LogP (Chemaxon):4.89

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Descriptor Annotations

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