Chemical ID: 4186960

Cc1cc2c(cc1C)n3c(=O)c(=Cc4ccc(c(c4)OC)OC(=O)C)sc3n2
Chemical ID:
4186960
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)n3c(=O)c(=Cc4ccc(c(c4)OC)OC(=O)C)sc3n2
InChi [?]:
InChI=1/C21H18N2O4S/c1-11-7-15-16(8-12(11)2)23-20(25)19(28-21(23)22-15)10-14-5-6-17(27-13(3)24)18(9-14)26-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,25,21,15,16,3,6,19,13,2,7,23,14,4,5,17,18,12,10,27,28,9,24,11,20,22,26/rA:28nCCCCCCCCNCOCCCCCCCCOCOCOCSCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;d23;s23;s12;s9s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.2566
Area:591.999
Solvation:-4.54332
Coulombic:-47.856
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:394.445
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.08
LogP (Chemaxon):4.23

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Descriptor Annotations

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