Chemical ID: 3956550

CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)c4ccccc4F
Chemical ID:
3956550
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)c4ccccc4F
InChi [?]:
InChI=1/C19H15FN4O2S/c1-2-23-17(26)13-8-4-6-10-15(13)24-18(23)21-22-19(24)27-11-16(25)12-7-3-5-9-14(12)20/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,8,24,9,22,7,25,10,18,21,6,26,11,19,4,13,16,27,14,15,3,12,20,5,17/rA:27nCCNCOCCCCCCNCNNCSCCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s3s12;d13;s14;s12d15;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FN4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.53406
Area:561.349
Solvation:-4.49967
Coulombic:-41.9116
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:382.413
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.9
LogP (Chemaxon):2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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