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Chemical ID: 5767601
Chemical ID:
5767601
Name [?]:
[3,3-dimethyl-7-(5-methyl-3-phenyl-isoxazol-4-yl)carbonylamino-6-oxo-2-thia-5-azabicyclo[3.2.0]hept-4-yl]carbonyloxysodium
SMILES [?]:
Cc1c(c(no1)c2ccccc2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O[Na]
InChi [?]:
InChI=1/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:1,24,25,10,9,11,8,12,2,7,3,4,16,21,13,19,17,26,22,15,5,18,14,20,27,28,6,23;29/E:(2,3)(5,6)(7,8)(25,26);/rA:29cCCCCNOCCCCCCCONCCNCOCCSCCCOONa/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s3;d13;s13;s15;s16;s17;s16s18;d19;s18;s21;s17s22;s22;s22;s21;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N3NaO5S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 423.419 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.44 |
LogP (Chemaxon): | 1.53 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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