Chemical ID: 6004423

Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C)NC(=O)C(C)(C)CCl
Chemical ID:
6004423
Name [?]:
3-chloro-2,2-dimethyl-N-[1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]propanamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C)NC(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C17H21ClN4O2S/c1-10-5-7-12(8-6-10)14-21-22-16(25-14)20-13(23)11(2)19-15(24)17(3,4)9-18/h5-8,11H,9H2,1-4H3,(H,19,24)(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,17,22,23,3,7,4,6,24,2,16,5,14,8,19,11,21,25,18,13,9,10,15,20,12/E:(3,4)(5,6)(7,8)/rA:25cCCCCCCCCNNCSNCOCCNCOCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16;s18;d19;s19;s21;s21;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21ClN4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.7767
Area:608.702
Solvation:-3.44082
Coulombic:-47.9186
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.893
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.69
LogP (Chemaxon):3.52

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