Chemical ID: 5926855

CC(c1ccccc1)N(CCC(=O)Nc2nnc(s2)c3ccc(cc3)Cl)C(=O)C4CCC4
Chemical ID:
5926855
Name [?]:
N-[2-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]-N-(1-phenylethyl)cyclobutanecarboxamide
SMILES [?]:
CC(c1ccccc1)N(CCC(=O)Nc2nnc(s2)c3ccc(cc3)Cl)C(=O)C4CCC4
InChi [?]:
InChI=1/C24H25ClN4O2S/c1-16(17-6-3-2-4-7-17)29(23(31)19-8-5-9-19)15-14-21(30)26-24-28-27-22(32-24)18-10-12-20(25)13-11-18/h2-4,6-7,10-13,16,19H,5,8-9,14-15H2,1H3,(H,26,28,30)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,31,4,8,30,32,21,25,22,24,11,10,2,3,20,29,23,12,18,27,15,26,14,17,16,9,13,28,19/E:(3,4)(6,7)(8,9)(10,11)(12,13)/rA:32cCCCCCCCCNCCCONCNNCSCCCCCCClCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s23;s9;d27;s27;s29;s30;s29s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25ClN4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.7012
Area:711.557
Solvation:-4.08768
Coulombic:-43.4364
Bond Count [?]
All:35
Single:25
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:469.0
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.57
LogP (Chemaxon):4.73

Name Annotations

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Descriptor Annotations

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