Chemical ID: 3961303

Cc1ccccc1c2nnc(s2)N(C3CCCC3)C(=O)C4CCC4
Chemical ID:
3961303
Name [?]:
N-cyclopentyl-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]-cyclobutanecarboxamide
SMILES [?]:
Cc1ccccc1c2nnc(s2)N(C3CCCC3)C(=O)C4CCC4
InChi [?]:
InChI=1/C19H23N3OS/c1-13-7-2-5-12-16(13)17-20-21-19(24-17)22(15-10-3-4-11-15)18(23)14-8-6-9-14/h2,5,7,12,14-15H,3-4,6,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,16,17,5,23,3,22,24,15,18,6,2,21,14,7,8,19,11,9,10,13,20,12/E:(3,4)(8,9)(10,11)/rA:24nCCCCCCCCNNCSNCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;s13;s14;s15;s16;s14s17;s13;d19;s19;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.518
Area:533.325
Solvation:-1.8151
Coulombic:-23.8825
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.472
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.08
LogP (Chemaxon):4.1

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Descriptor Annotations

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