Chemical ID: 4620205

CN1CCc2c(sc3c2c(=O)n(c(n3)SCc4ccccc4)c5ccc(cc5)OC)C1
Chemical ID:
4620205
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCc4ccccc4)c5ccc(cc5)OC)C1
InChi [?]:
InChI=1/C24H23N3O2S2/c1-26-13-12-19-20(14-26)31-22-21(19)23(28)27(17-8-10-18(29-2)11-9-17)24(25-22)30-15-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,20,19,21,18,22,24,28,25,27,4,3,31,16,17,23,26,5,6,9,8,10,13,14,2,12,11,29,15,7/E:(4,5)(6,7)(8,9)(10,11)/rA:31cCNCCCCSCCCONCNSCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s23;d24;s25;d26;d23s27;s26;s29;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O2S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.7552
Area:657.171
Solvation:-3.67412
Coulombic:-37.358
Bond Count [?]
All:35
Single:25
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:449.59
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.01
LogP (Chemaxon):4.97

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Descriptor Annotations

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