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Chemical ID: 7309614
Chemical ID:
7309614
Name [?]:
None
SMILES [?]:
CC1CCCCN1C(=O)CN2C(=O)C3(CCCc4c3cccc4)NC2=O
InChi [?]:
InChI=1/C20H25N3O3/c1-14-7-4-5-12-22(14)17(24)13-23-18(25)20(21-19(23)26)11-6-9-15-8-2-3-10-16(15)20/h2-3,8,10,14H,4-7,9,11-13H2,1H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,22,21,4,5,16,3,23,17,20,15,6,10,2,18,19,8,12,25,14,24,7,11,9,13,26/rA:26cCCCCCCNCOCNCOCCCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;d19;s20;d21;d18s22;s14;s11s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O3 |
All Atoms: | 51 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.0785 |
Area: | 533.404 |
Solvation: | -3.25663 |
Coulombic: | -57.2376 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 355.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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