ChemDB: Chemical Search
Download
Chemical ID: 4572182
Chemical ID:
4572182
Name [?]:
None
SMILES [?]:
CCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5cccc(c5OC)OC
InChi [?]:
InChI=1/C25H27N3O4/c1-4-12-27-14-21(29)28-19(25(27)30)13-17-15-8-5-6-10-18(15)26-22(17)23(28)16-9-7-11-20(31-2)24(16)32-3/h5-11,19,23,26H,4,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,30,2,16,17,25,15,24,18,26,3,12,5,14,23,13,19,9,27,6,21,22,28,10,20,4,8,7,11,31,29/rA:32cCCCNCCONCCOCCCCCCCCNCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s4s9;d10;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s8s21;s22;s23;d24;s25;d26;d23s27;s28;s29;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27N3O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.65565 |
Area: | 618.619 |
Solvation: | -5.80983 |
Coulombic: | -60.3363 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 433.5 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.29 |
LogP (Chemaxon): | 2.61 |
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 |
---|