Chemical ID: 6004042

CC(C)CC(=O)NC(C(C)C)C(=O)Nc1nnc(s1)c2ccccc2
Chemical ID:
6004042
Name [?]:
3-methyl-N-[2-methyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl]-butanamide
SMILES [?]:
CC(C)CC(=O)NC(C(C)C)C(=O)Nc1nnc(s1)c2ccccc2
InChi [?]:
InChI=1/C18H24N4O2S/c1-11(2)10-14(23)19-15(12(3)4)16(24)20-18-22-21-17(25-18)13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3,(H,19,23)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,23,22,24,21,25,4,2,9,20,5,8,12,18,15,7,14,17,16,6,13,19/E:(1,2)(3,4)(6,7)(8,9)/rA:25cCCCCCONCCCCCONCNNCSCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s9;s8;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.5332
Area:592.384
Solvation:-3.27645
Coulombic:-48.1698
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:360.475
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):3.27

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Descriptor Annotations

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