Chemical ID: 6696580

Cc1ccc(cc1)c2nnc(s2)N(CCOC)C(=O)CCc3ccccc3
Chemical ID:
6696580
Name [?]:
N-(2-methoxyethyl)-3-phenyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-propanamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)N(CCOC)C(=O)CCc3ccccc3
InChi [?]:
InChI=1/C21H23N3O2S/c1-16-8-11-18(12-9-16)20-22-23-21(27-20)24(14-15-26-2)19(25)13-10-17-6-4-3-5-7-17/h3-9,11-12H,10,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,25,24,26,23,27,3,7,21,4,6,20,14,15,2,22,5,18,8,11,9,10,13,19,16,12/E:(4,5)(6,7)(8,9)(11,12)/rA:27nCCCCCCCCNNCSNCCOCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;s14;s15;s16;s13;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0504
Area:615.993
Solvation:-3.34946
Coulombic:-32.0391
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.492
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.55
LogP (Chemaxon):3.9

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Descriptor Annotations

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