Chemical ID: 6008744

CC(C)CC(=O)N(CC1CC1)CC(=O)Nc2nccs2
Chemical ID:
6008744
Name [?]:
N-(cyclopropylmethyl)-3-methyl-N-(thiazol-2-ylcarbamoylmethyl)butanamide
SMILES [?]:
CC(C)CC(=O)N(CC1CC1)CC(=O)Nc2nccs2
InChi [?]:
InChI=1/C14H21N3O2S/c1-10(2)7-13(19)17(8-11-3-4-11)9-12(18)16-14-15-5-6-20-14/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,18,19,4,8,12,2,9,13,5,16,17,15,7,14,6,20/E:(1,2)(3,4)/rA:20nCCCCCONCCCCCCONCNCCS/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s9s10;s7;s12;d13;s13;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.76773
Area:514.429
Solvation:-4.093
Coulombic:-40.6066
Bond Count [?]
All:21
Single:17
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:295.402
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.23
LogP (Chemaxon):1.87

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Descriptor Annotations

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