ChemDB: Chemical Search
Download
Chemical ID: 4569665
Chemical ID:
4569665
Name [?]:
None
SMILES [?]:
COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CC(c6ccccc6)O
InChi [?]:
InChI=1/C30H27N3O5/c1-38-30(37)20-13-11-19(12-14-20)28-27-22(21-9-5-6-10-23(21)31-27)15-24-29(36)32(17-26(35)33(24)28)16-25(34)18-7-3-2-4-8-18/h2-14,24-25,28,31,34H,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,35,34,36,16,17,33,37,15,18,7,9,6,10,21,30,26,32,8,5,14,13,19,22,31,24,12,11,28,3,20,27,23,38,25,29,4,2/E:(3,4)(7,8)(11,12)(13,14)/rA:38cCOCOCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s13;s21;s11s22;s23;d24;s24;s26;s22s27;d28;s27;s30;s31;s32;d33;s34;d35;d32s36;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H27N3O5 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 12.3452 |
Area: | 728.896 |
Solvation: | -5.87718 |
Coulombic: | -83.2541 |
Bond Count [?]
All: | 43 |
Single: | 30 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 509.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.98 |
LogP (Chemaxon): | 3.26 |
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 |
---|