ChemDB: Chemical Search
Download
Chemical ID: 7467640
Chemical ID:
7467640
Name [?]:
2-methoxyethyl 3-(carbamoylmethyl)-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
Cc1c2c(ncn(c2=O)CC(=O)N)sc1C(=O)OCCOC
InChi [?]:
InChI=1/C13H15N3O5S/c1-7-9-11(15-6-16(12(9)18)5-8(14)17)22-10(7)13(19)21-4-3-20-2/h6H,3-5H2,1-2H3,(H2,14,17)
InChi Info:
AuxInfo=1/1/N:1,22,20,19,10,6,2,11,3,15,4,8,16,13,5,7,12,9,17,21,18,14/rA:22nCCCCNCNCOCCONSCCOOCCOC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;d11;s11;s4;d2s14;s15;d16;s16;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3O5S |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88502 |
Area: | 515.76 |
Solvation: | -6.00898 |
Coulombic: | -72.0184 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.341 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -1.68 |
LogP (Chemaxon): | -0.76 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|