Chemical ID: 6004542

Cc1cccc(c1)c2nnc(s2)NC(=O)CCNC(=O)CC(C)(C)C
Chemical ID:
6004542
Name [?]:
3,3-dimethyl-N-[2-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]butanamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)CCNC(=O)CC(C)(C)C
InChi [?]:
InChI=1/C18H24N4O2S/c1-12-6-5-7-13(10-12)16-21-22-17(25-16)20-14(23)8-9-19-15(24)11-18(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,19,24)(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,4,3,5,16,17,7,21,2,6,14,19,8,11,22,18,13,9,10,15,20,12/E:(2,3,4)/rA:25nCCCCCCCCNNCSNCOCCNCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s19;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9927
Area:606.397
Solvation:-4.16723
Coulombic:-45.3025
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:360.475
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.17
LogP (Chemaxon):2.95

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