Chemical ID: 5767601

Cc1c(c(no1)c2ccccc2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O[Na]
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

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Descriptor Annotations

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