Chemical ID: 6285109

CCn1c2ccc3ccccc3c2sc1=NC(=O)c4ccc5ccccc5c4
Chemical ID:
6285109
Name [?]:
None
SMILES [?]:
CCn1c2ccc3ccccc3c2sc1=NC(=O)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C24H18N2OS/c1-2-26-21-14-13-17-8-5-6-10-20(17)22(21)28-24(26)25-23(27)19-12-11-16-7-3-4-9-18(16)15-19/h3-15H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,25,9,10,23,8,26,11,21,20,6,5,28,22,7,27,19,12,4,13,17,15,16,3,18,14/rA:28nCCNCCCCCCCCCCSCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;s3s14;w15;s16;d17;s17;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18N2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3082
Area:564.938
Solvation:-1.81521
Coulombic:-28.2222
Bond Count [?]
All:32
Single:20
Double:12
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:382.479
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.8
LogP (Chemaxon):6.97

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Descriptor Annotations

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