Chemical ID: 3961391

Cc1ccccc1c2nnc(s2)N(CC(C)C)C(=O)CCc3ccccc3
Chemical ID:
3961391
Name [?]:
N-isobutyl-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide
SMILES [?]:
Cc1ccccc1c2nnc(s2)N(CC(C)C)C(=O)CCc3ccccc3
InChi [?]:
InChI=1/C22H25N3OS/c1-16(2)15-25(20(26)14-13-18-10-5-4-6-11-18)22-24-23-21(27-22)19-12-8-7-9-17(19)3/h4-12,16H,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:16,17,1,25,24,26,4,5,3,23,27,6,21,20,14,15,2,22,7,18,8,11,9,10,13,19,12/E:(1,2)(5,6)(10,11)/rA:27nCCCCCCCCNNCSNCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;s13;s14;s15;s15;s13;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.0907
Area:611.23
Solvation:-2.19006
Coulombic:-25.0429
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:379.52
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.82
LogP (Chemaxon):5.28

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