ChemDB: Chemical Search
Download
Chemical ID: 4804402
Chemical ID:
4804402
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(=O)c3c(c(=O)c4ccccc4o3)C25c6ccccc6N(C5=O)CC=C
InChi [?]:
InChI=1/C29H22N2O4/c1-3-16-30-22-10-6-5-9-21(22)29(28(30)34)24-25(32)20-8-4-7-11-23(20)35-26(24)27(33)31(29)17-19-14-12-18(2)13-15-19/h3-15H,1,16-17H2,2H3
InChi Info:
AuxInfo=1/0/N:35,1,34,18,26,27,19,17,25,28,20,3,7,4,6,33,8,2,5,16,24,29,21,13,14,12,10,31,23,30,9,15,11,32,22/E:(12,13)(14,15)/rA:35cCCCCCCCCNCOCCCOCCCCCCOCCCCCCCNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s13;d14;s14;s16;d17;s18;d19;d16s20;s12s21;s9s13;s23;s24;d25;s26;d27;d24s28;s29;s23s30;d31;s30;s33;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H22N2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8433 |
Area: | 638.251 |
Solvation: | -4.11296 |
Coulombic: | -55.0324 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 462.496 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.45 |
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 |
---|