Chemical ID: 6262590

c1ccc(cc1)C=CC(=O)Nc2c(c3c(s2)CCCCC3)C(=O)N
Chemical ID:
6262590
Name [?]:
9-(3-phenylprop-2-enoylamino)-8-thiabicyclo[5.3.0]deca-9,11-diene-10-carboxamide
SMILES [?]:
c1ccc(cc1)C=CC(=O)Nc2c(c3c(s2)CCCCC3)C(=O)N
InChi [?]:
InChI=1/C19H20N2O2S/c20-18(23)17-14-9-5-2-6-10-15(14)24-19(17)21-16(22)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,2,6,20,18,3,5,21,17,7,8,4,14,15,9,13,22,12,24,11,10,23,16/E:(3,4)(7,8)/rA:24nCCCCCCCCCONCCCCSCCCCCCON/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;s19;s14s20;s13;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.91295
Area:529.154
Solvation:-3.31589
Coulombic:-47.9962
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:340.44
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.87
LogP (Chemaxon):3.81

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