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Chemical ID: 4700775
Chemical ID:
4700775
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2C(=O)NC3(N2)CCC4(CC3)OCCO4
InChi [?]:
InChI=1/C15H19N3O3/c19-13-16-14(17-18(13)12-4-2-1-3-5-12)6-8-15(9-7-14)20-10-11-21-15/h1-5,17H,6-11H2,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,17,14,16,19,20,4,8,11,15,10,12,7,9,18,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(20,21)/rA:21nCCCCCCNCONCNCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s7s11;s11;s13;s14;s15;s11s16;s15;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73979 |
Area: | 458.711 |
Solvation: | -3.72798 |
Coulombic: | -51.1626 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 289.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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