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Chemical ID: 3961511
Chemical ID:
3961511
Name [?]:
N-cyclopentyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-cyclopropanecarboxamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)N(C3CCCC3)C(=O)C4CC4
InChi [?]:
InChI=1/C18H21N3OS/c1-12-6-8-13(9-7-12)16-19-20-18(23-16)21(15-4-2-3-5-15)17(22)14-10-11-14/h6-9,14-15H,2-5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,3,7,4,6,22,23,2,5,21,14,8,19,11,9,10,13,20,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCCCCNNCSNCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;s14;s15;s16;s14s17;s13;d19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3787 |
Area: | 530.627 |
Solvation: | -1.88696 |
Coulombic: | -23.3632 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 327.445 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.51 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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