Chemical ID: 6153338

CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)OC)C(=O)Nc3cccc(c3)C
Chemical ID:
6153338
Name [?]:
2-(3-chloro-4-methoxy-phenyl)imino-3-ethyl-N-(m-tolyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)OC)C(=O)Nc3cccc(c3)C
InChi [?]:
InChI=1/C21H22ClN3O3S/c1-4-25-19(26)12-18(20(27)23-14-7-5-6-13(2)10-14)29-21(25)24-15-8-9-17(28-3)16(22)11-15/h5-11,18H,4,12H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,29,19,2,25,26,24,12,13,28,16,6,27,23,11,15,14,7,4,20,9,17,22,10,3,5,21,18,8/rA:29cCCNCOCCSCNCCCCCCClOCCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;s7;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.078
Area:641.413
Solvation:-4.95734
Coulombic:-48.8415
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:431.936
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.26
LogP (Chemaxon):4.95

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Descriptor Annotations

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