Chemical ID: 4806382

c1ccc2c(c1)c3c(s2)cc(s3)C(=O)NC4C5CC6CC(C5)CC4C6
Chemical ID:
4806382
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(s2)cc(s3)C(=O)NC4C5CC6CC(C5)CC4C6
InChi [?]:
InChI=1/C21H21NOS2/c23-21(22-19-13-6-11-5-12(8-13)9-14(19)7-11)18-10-17-20(25-18)15-3-1-2-4-16(15)24-17/h1-4,10-14,19H,5-9H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,18,25,22,23,10,19,21,17,24,5,4,8,11,16,7,13,15,14,9,12/E:(6,7,8,9)(11,12)(13,14)/rA:25nCCCCCCCCSCCSCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s7s11;s11;d13;s13;s15;s16;s17;s18;s19;s20;s17s21;s21;s16s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NOS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.2283
Area:541.896
Solvation:-1.31913
Coulombic:-25.7668
Bond Count [?]
All:30
Single:24
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:367.53
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.83
LogP (Chemaxon):5.2

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Descriptor Annotations

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