Chemical ID: 7663705

CCN(CC)C(=O)CSc1nc2c(c(c(s2)C)C)c(=O)n1c3ccc(cc3)Cl
Chemical ID:
7663705
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)CSc1nc2c(c(c(s2)C)C)c(=O)n1c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H22ClN3O2S2/c1-5-23(6-2)16(25)11-27-20-22-18-17(12(3)13(4)28-18)19(26)24(20)15-9-7-14(21)8-10-15/h7-10H,5-6,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,18,17,2,4,24,26,23,27,8,14,15,25,22,6,13,12,19,10,28,11,3,21,7,20,9,16/E:(1,2)(5,6)(7,8)(9,10)/rA:28nCCNCCCOCSCNCCCCSCCCONCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;s13;d14;s12s15;s15;s14;s13;d19;s10s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22ClN3O2S2
All Atoms:50
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:13.3639
Area:648.826
Solvation:-2.85676
Coulombic:-40.1261
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.02
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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