Chemical ID: 6152831

CCN1C(=O)CC(SC1=Nc2ccc(cc2)Br)C(=O)Nc3ccccc3OC
Chemical ID:
6152831
Name [?]:
2-(4-bromophenyl)imino-3-ethyl-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(cc2)Br)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C20H20BrN3O3S/c1-3-24-18(25)12-17(19(26)23-15-6-4-5-7-16(15)27-2)28-20(24)22-14-10-8-13(21)9-11-14/h4-11,17H,3,12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,2,23,24,22,25,13,15,12,16,6,14,11,21,26,7,4,18,9,17,10,20,3,5,19,27,8/E:(8,9)(10,11)/rA:28cCCNCOCCSCNCCCCCCBrCONCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s7;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20BrN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.1116
Area:616.854
Solvation:-4.30977
Coulombic:-50.0894
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:462.361
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.99
LogP (Chemaxon):4.76

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