Chemical ID: 4827053

CN1CCc2c(sc3c2C(=O)NC(N3)c4ccc(c(c4)Cl)OC)C1
Chemical ID:
4827053
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2C(=O)NC(N3)c4ccc(c(c4)Cl)OC)C1
InChi [?]:
InChI=1/C17H18ClN3O2S/c1-21-6-5-10-13(8-21)24-17-14(10)16(22)19-15(20-17)9-3-4-12(23-2)11(18)7-9/h3-4,7,15,20H,5-6,8H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,23,16,17,4,3,20,24,15,5,19,18,6,9,13,10,8,21,12,14,2,11,22,7/rA:24cCNCCCCSCCCONCNCCCCCCClOCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8s13;s13;s15;d16;s17;d18;d15s19;s19;s18;s22;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClN3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.66329
Area:537.553
Solvation:-3.77554
Coulombic:-46.2746
Bond Count [?]
All:27
Single:21
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:363.863
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.84
LogP (Chemaxon):2.58

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