ChemDB: Chemical Search
Download
Chemical ID: 6135877
Chemical ID:
6135877
Name [?]:
2-(4-chlorophenyl)imino-4-oxo-3-phenethyl-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)Cl)S2)CCc4ccccc4
InChi [?]:
InChI=1/C28H28ClN3O3S/c1-2-18-35-24-14-12-22(13-15-24)30-27(34)25-19-26(33)32(17-16-20-6-4-3-5-7-20)28(36-25)31-23-10-8-21(29)9-11-23/h3-15,25H,2,16-19H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,2,34,33,35,32,36,23,25,22,26,7,9,6,10,30,29,3,15,31,24,8,21,5,14,16,12,19,27,11,20,18,17,13,4,28/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:36cCCCOCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s14s19;s18;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H28ClN3O3S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.3022 |
Area: | 765.575 |
Solvation: | -4.83715 |
Coulombic: | -51.7878 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 522.059 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.04 |
LogP (Chemaxon): | 6.98 |
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 |
---|