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Chemical ID: 6507274
Chemical ID:
6507274
Name [?]:
6-[(3-chlorophenyl)carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES [?]:
CC1(C(N2C(S1)C(C2=O)NC(=O)Nc3cccc(c3)Cl)C(=O)O)C
InChi [?]:
InChI=1/C15H16ClN3O4S/c1-15(2)10(13(21)22)19-11(20)9(12(19)24-15)18-14(23)17-8-5-3-4-7(16)6-8/h3-6,9-10,12H,1-2H3,(H,21,22)(H2,17,18,23)
InChi Info:
AuxInfo=1/1/N:1,24,16,17,15,19,18,14,7,3,8,5,21,11,2,20,13,10,4,9,22,23,12,6/E:(1,2)(21,22)/rA:24cCCCNCSCCONCONCCCCCCClCOOC/rB:s1;s2;s3;s4;s2s5;s5;s4s7;d8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s3;d21;s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClN3O4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.6904 |
Area: | 538.253 |
Solvation: | -4.76591 |
Coulombic: | -78.0728 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.824 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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