Chemical ID: 4619908

CCCCCSc1nc2c(c3c(s2)CC(CC3)C)c(=O)n1c4ccc(cc4)OC
Chemical ID:
4619908
Name [?]:
None
SMILES [?]:
CCCCCSc1nc2c(c3c(s2)CC(CC3)C)c(=O)n1c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H28N2O2S2/c1-4-5-6-13-28-23-24-21-20(18-12-7-15(2)14-19(18)29-21)22(26)25(23)16-8-10-17(27-3)11-9-16/h8-11,15H,4-7,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,29,2,3,4,16,23,27,24,26,17,5,14,15,22,25,11,12,10,9,19,7,8,21,20,28,6,13/E:(8,9)(10,11)/rA:29cCCCCCSCNCCCCSCCCCCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;d11;s9s12;s12;s14;s15;s11s16;s15;s10;d19;s7s19;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N2O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.6964
Area:656.49
Solvation:-2.7158
Coulombic:-33.0599
Bond Count [?]
All:32
Single:25
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:428.613
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.16
LogP (Chemaxon):6.34

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Descriptor Annotations

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