Chemical ID: 4607198

CCSc1nc2c(c3c(s2)CN(CC3)C(C)C)c(=O)n1c4ccccc4
Chemical ID:
4607198
Name [?]:
None
SMILES [?]:
CCSc1nc2c(c3c(s2)CN(CC3)C(C)C)c(=O)n1c4ccccc4
InChi [?]:
InChI=1/C20H23N3OS2/c1-4-25-20-21-18-17(19(24)23(20)14-8-6-5-7-9-14)15-10-11-22(13(2)3)12-16(15)26-18/h5-9,13H,4,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,2,24,23,25,22,26,14,13,11,15,21,8,9,7,6,18,4,5,12,20,19,3,10/E:(2,3)(6,7)(8,9)/rA:26cCCSCNCCCCSCNCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s9;s11;s12;s8s13;s12;s15;s15;s7;d18;s4s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3OS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.5382
Area:576.601
Solvation:-1.87683
Coulombic:-30.1168
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:385.548
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.89
LogP (Chemaxon):4.54

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Descriptor Annotations

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