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Chemical ID: 3961303
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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