Chemical ID: 6507276

CC1(C(N2C(S1)C(C2=O)NC(=O)Nc3ccc(cc3)Cl)C(=O)O)C
Chemical ID:
6507276
Name [?]:
6-[(4-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)Nc3ccc(cc3)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)17-8-5-3-7(16)4-6-8/h3-6,9-10,12H,1-2H3,(H,21,22)(H2,17,18,23)
InChi Info:
AuxInfo=1/1/N:1,24,16,18,15,19,17,14,7,3,8,5,21,11,2,20,13,10,4,9,22,23,12,6/E:(1,2)(3,4)(5,6)(21,22)/rA:24cCCCNCSCCONCONCCCCCCClCOOC/rB:s1;s2;s3;s4;s2s5;s5;s4s7;d8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s3;d21;s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClN3O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:8.78055
Area:539.469
Solvation:-4.70616
Coulombic:-78.074
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

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