Chemical ID: 4891859

CN1CCc2c(sc3c2c(=O)n(c(n3)SCc4ccc(cc4)Cl)c5ccc(cc5)OC)C1
Chemical ID:
4891859
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCc4ccc(cc4)Cl)c5ccc(cc5)OC)C1
InChi [?]:
InChI=1/C24H22ClN3O2S2/c1-27-12-11-19-20(13-27)32-22-21(19)23(29)28(17-7-9-18(30-2)10-8-17)24(26-22)31-14-15-3-5-16(25)6-4-15/h3-10H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,18,22,19,21,25,29,26,28,4,3,32,16,17,20,24,27,5,6,9,8,10,13,23,14,2,12,11,30,15,7/E:(3,4)(5,6)(7,8)(9,10)/rA:32cCNCCCCSCCCONCNSCCCCCCCClCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s12;s24;d25;s26;d27;d24s28;s27;s30;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22ClN3O2S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.6264
Area:692.048
Solvation:-3.67476
Coulombic:-37.4823
Bond Count [?]
All:36
Single:26
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:484.035
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):5.49

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Descriptor Annotations

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