ChemDB: Chemical Search
Download
Chemical ID: 6025264
Chemical ID:
6025264
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2,2-dimethyl-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C24H34N2O2S/c1-7-19(3)26(23(28)24(4,5)6)17-22(27)25(15-20-11-9-8-10-12-20)16-21-18(2)13-14-29-21/h8-14,19H,7,15-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,23,4,27,28,29,2,14,13,15,12,16,20,21,10,17,6,19,3,11,18,7,24,26,9,5,8,25,22/E:(4,5,6)(9,10)(11,12)/rA:29cCCCCNCCONCCCCCCCCCCCCSCCOCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s19;s5;d24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9885 |
Area: | 608.357 |
Solvation: | -3.22042 |
Coulombic: | -36.1599 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 414.605 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 5.15 |
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 |
---|