Chemical ID: 4644029

Cc1c2c(n(n1)C(=O)c3c(c4ccccc4s3)Cl)CC5C2C5(C)C
Chemical ID:
4644029
Name [?]:
None
SMILES [?]:
Cc1c2c(n(n1)C(=O)c3c(c4ccccc4s3)Cl)CC5C2C5(C)C
InChi [?]:
InChI=1/C19H17ClN2OS/c1-9-14-12(8-11-15(14)19(11,2)3)22(21-9)18(23)17-16(20)10-6-4-5-7-13(10)24-17/h4-7,11,15H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,13,14,12,15,19,2,11,20,4,16,3,21,10,9,7,22,18,6,5,8,17/E:(2,3)/rA:24cCCCCNNCOCCCCCCCCSClCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;d7;s7;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s4;s19;s3s20;s20s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:11.5624
Area:529.497
Solvation:-1.67499
Coulombic:-17.7371
Bond Count [?]
All:28
Single:21
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:356.87
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.53
LogP (Chemaxon):4.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue