Chemical ID: 3869336

COc1cccc(c1C(=O)Nc2nnc(s2)c3ccc4c(c3)OCO4)OC
Chemical ID:
3869336
Name [?]:
N-(5-benzo[1,3]dioxol-5-yl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxy-benzamide
SMILES [?]:
COc1cccc(c1C(=O)Nc2nnc(s2)c3ccc4c(c3)OCO4)OC
InChi [?]:
InChI=1/C18H15N3O5S/c1-23-12-4-3-5-13(24-2)15(12)16(22)19-18-21-20-17(27-18)10-6-7-11-14(8-10)26-9-25-11/h3-8H,9H2,1-2H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,27,5,4,6,18,19,22,24,17,20,3,7,21,8,9,15,12,11,14,13,10,2,26,25,23,16/E:(1,2)(4,5)(12,13)(23,24)/rA:27nCOCCCCCCCONCNNCSCCCCCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20s24;s7;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.53433
Area:590.054
Solvation:-7.21702
Coulombic:-55.6888
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.395
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.77
LogP (Chemaxon):2.5

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Descriptor Annotations

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