ChemDB: Chemical Search
Download
Chemical ID: 6042669
Chemical ID:
6042669
Name [?]:
8-(1,1-dimethylpropyl)-5-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-furyl]methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)N4CCN(CC4)c5ccccc5OC
InChi [?]:
InChI=1/C30H35N3O5/c1-5-30(2,3)21-10-12-26-24(18-21)33(28(34)20-37-26)19-22-11-13-27(38-22)29(35)32-16-14-31(15-17-32)23-8-6-7-9-25(23)36-4/h6-13,18H,5,14-17,19-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,5,38,2,33,34,32,35,7,19,8,20,27,29,26,30,11,17,15,6,18,31,10,36,9,21,13,23,3,28,25,12,14,24,37,16,22/E:(2,3)(14,15)(16,17)/rA:38nCCCCCCCCCCCNCOCOCCCCCOCONCCNCCCCCCCCOC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s19;d20;s18s21;s21;d23;s23;s25;s26;s27;s28;s25s29;s28;s31;d32;s33;d34;d31s35;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H35N3O5 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8457 |
Area: | 723.84 |
Solvation: | -6.25026 |
Coulombic: | -66.1652 |
Bond Count [?]
All: | 42 |
Single: | 32 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 517.616 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.87 |
LogP (Chemaxon): | 3.96 |
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 |
---|