Chemical ID: 5647732

CC(c1ccccc1)NC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O
Chemical ID:
5647732
Name [?]:
None
SMILES [?]:
CC(c1ccccc1)NC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O
InChi [?]:
InChI=1/C20H18N2O3S/c1-14(15-7-3-2-4-8-15)21-19(23)13-22-17-11-5-9-16-10-6-12-18(20(16)17)26(22,24)25/h2-12,14H,13H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,16,22,4,8,17,23,15,21,12,2,3,18,14,20,10,19,9,13,11,25,26,24/E:(3,4)(7,8)(24,25)/CRV:26.6/rA:26cCCCCCCCCNCOCNCCCCCCCCCCSOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s13s20;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.0473
Area:552.982
Solvation:-3.77725
Coulombic:-29.9596
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.435
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.93
LogP (Chemaxon):2.92

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