Chemical ID: 6449874

CN1CCc2c(sc3c2c(=O)n(c(n3)SCC(=O)c4ccc(cc4)Cl)c5ccccc5)C1
Chemical ID:
6449874
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCC(=O)c4ccc(cc4)Cl)c5ccccc5)C1
InChi [?]:
InChI=1/C24H20ClN3O2S2/c1-27-12-11-18-20(13-27)32-22-21(18)23(30)28(17-5-3-2-4-6-17)24(26-22)31-14-19(29)15-7-9-16(25)10-8-15/h2-10H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,27,31,20,24,21,23,4,3,32,16,19,22,26,5,17,6,9,8,10,13,25,14,2,12,18,11,15,7/E:(3,4)(5,6)(7,8)(9,10)/rA:32cCNCCCCSCCCONCNSCCOCCCCCCClCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s12;s26;d27;s28;d29;d26s30;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20ClN3O2S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.6021
Area:687.539
Solvation:-3.58638
Coulombic:-37.8902
Bond Count [?]
All:36
Single:25
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:482.019
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.33
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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