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Chemical ID: 4543329
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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