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Chemical ID: 4565978
Chemical ID:
4565978
Name [?]:
None
SMILES [?]:
CCCCCCN1CC(=O)N2Cc3c(c4ccccc4[nH]3)CC2C1=O
InChi [?]:
InChI=1/C20H25N3O2/c1-2-3-4-7-10-22-13-19(24)23-12-17-15(11-18(23)20(22)25)14-8-5-6-9-16(14)21-17/h5-6,8-9,18,21H,2-4,7,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,17,18,5,16,19,6,22,12,8,15,14,20,13,23,9,24,21,7,11,10,25/rA:25cCCCCCCNCCONCCCCCCCCCNCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s14;s11s22;s7s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1615 |
Area: | 557.127 |
Solvation: | -2.76666 |
Coulombic: | -45.9406 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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