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Chemical ID: 6285109
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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