Chemical ID: 4543329

Cc1ccc(cc1)C2Nc3c(c4c(s3)CC(CC4)C)C(=O)N2
Chemical ID:
4543329
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2Nc3c(c4c(s3)CC(CC4)C)C(=O)N2
InChi [?]:
InChI=1/C18H20N2OS/c1-10-3-6-12(7-4-10)16-19-17(21)15-13-8-5-11(2)9-14(13)22-18(15)20-16/h3-4,6-7,11,16,20H,5,8-9H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,3,7,17,4,6,18,15,2,16,5,12,13,11,8,20,10,22,9,21,14/E:(3,4)(6,7)/rA:22cCCCCCCCCNCCCCSCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;s10s13;s13;s15;s16;s12s17;s16;s11;d20;s8s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:10.7232
Area:493.759
Solvation:-1.62081
Coulombic:-35.9987
Bond Count [?]
All:25
Single:19
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:312.43
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.48
LogP (Chemaxon):4.32

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Descriptor Annotations

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