Chemical ID: 4505150

c1ccc(c(c1)NC(=O)CSc2[nH]c3c(c4c(s3)CCCC4)c(=O)n2)F
Chemical ID:
4505150
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)NC(=O)CSc2[nH]c3c(c4c(s3)CCCC4)c(=O)n2)F
InChi [?]:
InChI=1/C18H16FN3O2S2/c19-11-6-2-3-7-12(11)20-14(23)9-25-18-21-16(24)15-10-5-1-4-8-13(10)26-17(15)22-18/h2-3,6-7H,1,4-5,8-9H2,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:21,2,1,20,22,3,6,19,10,16,4,5,17,8,15,23,14,12,26,7,25,13,9,24,11,18/rA:26nCCCCCCNCOCSCNCCCCSCCCCCONF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;s14s17;s17;s19;s20;s16s21;s15;d23;d12s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16FN3O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1018
Area:573.411
Solvation:-3.23347
Coulombic:-53.2567
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:389.469
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.44
LogP (Chemaxon):3.88

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Descriptor Annotations

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