Chemical ID: 5578610

CCOC(=O)c1c(c([nH]c1C)C(=O)CSc2nnc(o2)c3ccncc3)C
Chemical ID:
5578610
Name [?]:
ethyl 2,4-dimethyl-5-[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c([nH]c1C)C(=O)CSc2nnc(o2)c3ccncc3)C
InChi [?]:
InChI=1/C18H18N4O4S/c1-4-25-17(24)14-10(2)15(20-11(14)3)13(23)9-27-18-22-21-16(26-18)12-5-7-19-8-6-12/h5-8,20H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,11,2,22,26,23,25,14,7,10,21,12,6,8,19,4,16,24,9,18,17,13,5,3,20,15/E:(5,6)(7,8)/rA:27nCCOCOCCCNCCCOCSCNNCOCCCNCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;s12;s14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N4O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7329
Area:627.853
Solvation:-3.96337
Coulombic:-57.1511
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.426
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):1.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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