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Chemical ID: 6042057
Chemical ID:
6042057
Name [?]:
N-butyl-4-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CCCCNC(=O)CCCN1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C17H24N2O3/c1-3-4-9-18-16(20)6-5-10-19-14-11-13(2)7-8-15(14)22-12-17(19)21/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,9,8,15,16,4,10,13,19,14,12,17,6,20,5,11,7,21,18/rA:22nCCCCNCOCCCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92364 |
Area: | 544.229 |
Solvation: | -3.6821 |
Coulombic: | -45.4876 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.27 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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