ChemDB: Chemical Search
Download
Chemical ID: 3873689
Chemical ID:
3873689
Name [?]:
2-methoxy-4-(5-methyl-7-tert-butylamino-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl)-phenol
SMILES [?]:
Cc1cccc2n1c(c(n2)c3ccc(c(c3)OC)O)NC(C)(C)C
InChi [?]:
InChI=1/C19H23N3O2/c1-12-7-6-8-16-20-17(18(22(12)16)21-19(2,3)4)13-9-10-14(23)15(11-13)24-5/h6-11,21,23H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,22,23,24,18,4,3,5,12,13,16,2,11,14,15,6,9,8,21,10,20,7,19,17/E:(2,3,4)/rA:24nCCCCCCNCCNCCCCCCOCONCCCC/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s8;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09327 |
Area: | 486.799 |
Solvation: | -4.07671 |
Coulombic: | -47.2463 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.25 |
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 |
---|