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Chemical ID: 6735792
Chemical ID:
6735792
Name [?]:
N-cyclopentyl-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-propanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)C(C)C(=O)NC3CCCC3
InChi [?]:
InChI=1/C17H22N2O3/c1-11-7-8-15-14(9-11)19(16(20)10-22-15)12(2)17(21)18-13-5-3-4-6-13/h7-9,12-13H,3-6,10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,14,20,21,19,22,3,4,7,11,2,13,18,6,5,9,15,17,8,10,16,12/E:(3,4)(5,6)/rA:22cCCCCCCCNCOCOCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s13;d15;s15;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.66794 |
Area: | 493.392 |
Solvation: | -3.66687 |
Coulombic: | -46.0815 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.19 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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