ChemDB: Chemical Search
Download
Chemical ID: 6033662
Chemical ID:
6033662
Name [?]:
ethyl 4-[2-[2-[2-(benzoyl-(2-methoxyethyl)amino)acetyl]aminothiazol-4-yl]acetyl]piperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(CCOC)C(=O)c3ccccc3
InChi [?]:
InChI=1/C24H31N5O6S/c1-3-35-24(33)28-11-9-27(10-12-28)21(31)15-19-17-36-23(25-19)26-20(30)16-29(13-14-34-2)22(32)18-7-5-4-6-8-18/h4-8,17H,3,9-16H2,1-2H3,(H,25,26,30)
InChi Info:
AuxInfo=1/1/N:1,28,2,34,33,35,32,36,8,10,7,11,25,26,14,23,16,31,15,21,12,29,18,4,19,20,9,6,24,22,13,30,5,27,3,17/E:(5,6)(7,8)(9,10)(11,12)/rA:36nCCOCONCCNCCCOCCCSCNNCOCNCCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;d15;s16;s17;s15d18;s18;s20;d21;s21;s23;s24;s25;s26;s27;s24;d29;s29;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N5O6S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6659 |
Area: | 781.302 |
Solvation: | -8.86662 |
Coulombic: | -92.3493 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 517.599 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 10 |
XLogP: | 0.4 |
LogP (Chemaxon): | 1.1 |
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 |
---|