Chemical ID: 5563252

CCCOc1ccc(cc1OC)C(=O)Nc2nnc(s2)C3CC3
Chemical ID:
5563252
Name [?]:
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1OC)C(=O)Nc2nnc(s2)C3CC3
InChi [?]:
InChI=1/C16H19N3O3S/c1-3-8-22-12-7-6-11(9-13(12)21-2)14(20)17-16-19-18-15(23-16)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,12,2,22,23,7,6,3,9,21,8,5,10,13,19,16,15,18,17,14,11,4,20/E:(4,5)/rA:23nCCCOCCCCCCOCCONCNNCSCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N3O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.32364
Area:566.231
Solvation:-5.83214
Coulombic:-39.1385
Bond Count [?]
All:25
Single:19
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:333.406
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.05
LogP (Chemaxon):2.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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