Chemical ID: 6507279

CC1(C(N2C(S1)C(C2=O)NC(=O)NC3CCCCC3)C(=O)O)C
Chemical ID:
6507279
Name [?]:
6-(cyclohexylcarbamoylamino)-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)NC3CCCCC3)C(=O)O)C
InChi [?]:
InChI=1/C15H23N3O4S/c1-15(2)10(13(20)21)18-11(19)9(12(18)23-15)17-14(22)16-8-6-4-3-5-7-8/h8-10,12H,3-7H2,1-2H3,(H,20,21)(H2,16,17,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,18,15,19,14,7,3,8,5,20,11,2,13,10,4,9,21,22,12,6/E:(1,2)(4,5)(6,7)(20,21)/rA:23cCCCNCSCCONCONCCCCCCCOOC/rB:s1;s2;s3;s4;s2s5;s5;s4s7;d8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s3;d20;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N3O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:8.48818
Area:516.08
Solvation:-4.41381
Coulombic:-78.2792
Bond Count [?]
All:25
Single:22
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:341.427
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.43
LogP (Chemaxon):0.65

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