Chemical ID: 5706467

CCOC(=O)c1c(c([nH]c1C)C(=O)CSc2nnc(o2)c3ccc(cc3)OC)C
Chemical ID:
5706467
Name [?]:
ethyl 5-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c([nH]c1C)C(=O)CSc2nnc(o2)c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C20H21N3O5S/c1-5-27-19(25)16-11(2)17(21-12(16)3)15(24)10-29-20-23-22-18(28-20)13-6-8-14(26-4)9-7-13/h6-9,21H,5,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,11,28,2,22,26,23,25,14,7,10,21,24,12,6,8,19,4,16,9,18,17,13,5,27,3,20,15/E:(6,7)(8,9)/rA:29nCCOCOCCCNCCCOCSCNNCOCCCCCCOCC/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;s24;s27;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0446
Area:670.236
Solvation:-4.71129
Coulombic:-60.7553
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:415.464
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.08
LogP (Chemaxon):2.1

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Descriptor Annotations

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