Chemical ID: 5943910

COCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
5943910
Name [?]:
methyl 2-[[2-methoxyethyl-(4-nitrobenzoyl)-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
COCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H17N3O6S/c1-24-8-7-18(9-14-17-13(10-26-14)16(21)25-2)15(20)11-3-5-12(6-4-11)19(22)23/h3-6,10H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,19,23,20,22,4,3,6,10,18,21,9,7,16,12,8,5,24,17,13,25,26,2,14,11/E:(3,4)(5,6)(22,23)/CRV:19.5/rA:26nCOCCNCCNCCSCOOCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s9;d12;s12;s14;s5;d16;s16;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O6S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:3.97496
Area:572.278
Solvation:-10.332
Coulombic:-61.5838
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:379.389
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:1.32
LogP (Chemaxon):1.32

Name Annotations

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Descriptor Annotations

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