Chemical ID: 6205011

CCOC(=O)c1c(c2c(s1)nc(n(c2=O)CC(=O)NCc3ccco3)C)C
Chemical ID:
6205011
Name [?]:
ethyl 3-(2-furylmethylcarbamoylmethyl)-4,9-dimethyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(s1)nc(n(c2=O)CC(=O)NCc3ccco3)C)C
InChi [?]:
InChI=1/C18H19N3O5S/c1-4-25-18(24)15-10(2)14-16(27-15)20-11(3)21(17(14)23)9-13(22)19-8-12-6-5-7-26-12/h5-7H,4,8-9H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,27,26,2,23,22,24,20,16,7,12,21,17,8,6,9,14,4,19,11,13,18,15,5,3,25,10/rA:27nCCOCOCCCCSNCNCOCCONCCCCCOCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;d11;s12;s8s13;d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;s21s24;s12;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1147
Area:607.242
Solvation:-5.06635
Coulombic:-67.3609
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.427
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.1
LogP (Chemaxon):1.0

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Descriptor Annotations

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