Chemical ID: 7081653

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)c5nc(c(s5)C)C
Chemical ID:
7081653
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)c5nc(c(s5)C)C
InChi [?]:
InChI=1/C23H18N2O4S/c1-11-7-8-17-16(9-11)20(27)18-19(14-5-4-6-15(26)10-14)25(22(28)21(18)29-17)23-24-12(2)13(3)30-23/h4-10,19,26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,29,19,18,20,3,4,7,22,2,26,27,17,21,6,5,10,16,8,11,13,24,25,15,23,9,14,12,28/rA:30cCCCCCCCCOCCOCONCCCCCCCOCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s15;d24;s25;d26;s24s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O4S
All Atoms:48
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.9643
Area:605.6
Solvation:-4.17574
Coulombic:-55.9708
Bond Count [?]
All:34
Single:23
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:418.466
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.99
LogP (Chemaxon):3.95

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Descriptor Annotations

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