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Chemical ID: 6210815
Chemical ID:
6210815
Name [?]:
N-(2-dimethylaminoethyl)-2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CN(C)CCNC(=O)CN1c2ccccc2OCC1=O
InChi [?]:
InChI=1/C14H19N3O3/c1-16(2)8-7-15-13(18)9-17-11-5-3-4-6-12(11)20-10-14(17)19/h3-6H,7-10H2,1-2H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,15,5,4,9,18,11,16,7,19,6,2,10,8,20,17/E:(1,2)/rA:20nCNCCCNCOCNCCCCCCOCCO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7474 |
Area: | 477.486 |
Solvation: | -4.18975 |
Coulombic: | -50.2687 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | -0.18 |
LogP (Chemaxon): | -0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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