Chemical ID: 4245076

Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nc(c(s5)C)C
Chemical ID:
4245076
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nc(c(s5)C)C
InChi [?]:
InChI=1/C23H18N2O3S/c1-12-8-10-15(11-9-12)19-18-20(26)16-6-4-5-7-17(16)28-21(18)22(27)25(19)23-24-13(2)14(3)29-23/h4-11,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,14,15,13,16,3,7,4,6,2,25,26,5,12,17,9,8,10,19,20,23,24,22,11,21,18,27/E:(8,9)(10,11)/rA:29cCCCCCCCCCCOCCCCCCOCCONCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;d23;s24;d25;s23s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.391
Area:589.603
Solvation:-3.34906
Coulombic:-40.9641
Bond Count [?]
All:33
Single:22
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:402.467
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.4
LogP (Chemaxon):4.23

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Descriptor Annotations

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