Chemical ID: 7286423

CC(c1ccc(cc1Cl)Cl)NC(=O)CSc2ccc3c(c2)OCCO3
Chemical ID:
7286423
Name [?]:
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylsulfanyl)acetamide
SMILES [?]:
CC(c1ccc(cc1Cl)Cl)NC(=O)CSc2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C18H17Cl2NO3S/c1-11(14-4-2-12(19)8-15(14)20)21-18(22)10-25-13-3-5-16-17(9-13)24-7-6-23-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,17,4,18,24,23,7,21,14,2,6,16,3,8,19,20,12,10,9,11,13,25,22,15/rA:25cCCCCCCCCClClNCOCSCCCCCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s2;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17Cl2NO3S
All Atoms:42
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.5848
Area:602.887
Solvation:-4.48736
Coulombic:-38.6127
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.304
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.77
LogP (Chemaxon):3.85

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