Chemical ID: 4610707

CCSc1nc2c(c3c(s2)CN(CC3)C)c(=O)n1c4ccc(cc4)C
Chemical ID:
4610707
Name [?]:
None
SMILES [?]:
CCSc1nc2c(c3c(s2)CN(CC3)C)c(=O)n1c4ccc(cc4)C
InChi [?]:
InChI=1/C19H21N3OS2/c1-4-24-19-20-17-16(14-9-10-21(3)11-15(14)25-17)18(23)22(19)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,15,2,21,23,20,24,14,13,11,22,19,8,9,7,6,16,4,5,12,18,17,3,10/E:(5,6)(7,8)/rA:25cCCSCNCCCCSCNCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s9;s11;s12;s8s13;s12;s7;d16;s4s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.0048
Area:558.829
Solvation:-1.96597
Coulombic:-29.5132
Bond Count [?]
All:28
Single:21
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:371.522
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.44
LogP (Chemaxon):4.25

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Descriptor Annotations

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