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Chemical ID: 6042078
Chemical ID:
6042078
Name [?]:
4-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N,N-dipropyl-butanamide
SMILES [?]:
CCCN(CCC)C(=O)CCCN1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C19H28N2O3/c1-4-10-20(11-5-2)18(22)7-6-12-21-16-13-15(3)8-9-17(16)24-14-19(21)23/h8-9,13H,4-7,10-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,24,2,6,11,10,17,18,3,5,12,15,21,16,14,19,8,22,4,13,9,23,20/E:(1,2)(4,5)(10,11)/rA:24nCCCNCCCCOCCCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8275 |
Area: | 581.44 |
Solvation: | -3.70851 |
Coulombic: | -41.1525 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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