ChemDB: Chemical Search
Download
Chemical ID: 4699542
Chemical ID:
4699542
Name [?]:
8-methyl-N-(3-morpholinopropyl)-9-oxo-7-oxa-2,10-diazabicyclo[4.4.0]deca-1,3,5-triene-8-carboxamide
SMILES [?]:
CC1(C(=O)Nc2c(cccn2)O1)C(=O)NCCCN3CCOCC3
InChi [?]:
InChI=1/C16H22N4O4/c1-16(15(22)19-13-12(24-16)4-2-5-17-13)14(21)18-6-3-7-20-8-10-23-11-9-20/h2,4-5H,3,6-11H2,1H3,(H,18,21)(H,17,19,22)
InChi Info:
AuxInfo=1/1/N:1,9,17,8,10,16,18,20,24,21,23,7,6,13,3,2,11,15,5,19,14,4,22,12/E:(8,9)(10,11)/rA:24cCCCONCCCCCNOCONCCCNCCOCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s7;s2;d13;s13;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N4O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.61698 |
Area: | 531.204 |
Solvation: | -4.66311 |
Coulombic: | -70.5014 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | -0.51 |
LogP (Chemaxon): | -0.53 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|