ChemDB: Chemical Search
Download
Chemical ID: 6013960
Chemical ID:
6013960
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-3-chloro-N-(2-morpholinoethyl)benzamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccco2)C(=O)CN(CCN3CCOCC3)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C27H30ClN3O4/c28-24-9-4-8-23(18-24)27(33)30(12-11-29-13-16-34-17-14-29)21-26(32)31(20-25-10-5-15-35-25)19-22-6-2-1-3-7-22/h1-10,15,18H,11-14,16-17,19-21H2
InChi Info:
AuxInfo=1/0/N:1,2,6,31,12,3,5,30,32,11,20,19,22,26,13,23,25,34,7,9,17,4,29,33,10,15,27,35,21,18,8,16,28,24,14/E:(2,3)(6,7)(13,14)(16,17)/rA:35nCCCCCCCNCCCCCOCOCNCCNCCOCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s21;s22;s23;s24;s21s25;s18;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30ClN3O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0871 |
Area: | 740.092 |
Solvation: | -6.41522 |
Coulombic: | -55.4572 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 495.998 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.08 |
LogP (Chemaxon): | 3.02 |
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 |
---|