Chemical ID: 3961511

Cc1ccc(cc1)c2nnc(s2)N(C3CCCC3)C(=O)C4CC4
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

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Descriptor Annotations

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