ChemDB: Chemical Search
Download
Chemical ID: 4614487
Chemical ID:
4614487
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(Nc3cc(ccc3N2)C(=O)c4ccccc4)c5ccc(cc5)N(C)C)C(=O)C1)C
InChi [?]:
InChI=1/C30H31N3O2/c1-30(2)17-25-27(26(34)18-30)28(19-10-13-22(14-11-19)33(3)4)32-24-16-21(12-15-23(24)31-25)29(35)20-8-6-5-7-9-20/h5-16,28,31-32H,17-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,30,31,20,19,21,18,22,24,28,11,25,27,12,9,3,34,23,17,10,26,13,8,4,32,5,6,15,2,14,7,29,33,16/E:(1,2)(3,4)(6,7)(8,9)(10,11)(13,14)/rA:35cCCCCCCNCCCCCCNCOCCCCCCCCCCCCNCCCOCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s10;d15;s15;s17;d18;s19;d20;d17s21;s6;s23;d24;s25;d26;d23s27;s26;s29;s29;s5;d32;s2s32;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H31N3O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3624 |
Area: | 687.753 |
Solvation: | -3.83142 |
Coulombic: | -47.8226 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 465.586 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.84 |
LogP (Chemaxon): | 5.19 |
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 |
---|