Chemical ID: 6153273

CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)C)C(=O)Nc3cccc(c3)C
Chemical ID:
6153273
Name [?]:
2-(3-chloro-4-methyl-phenyl)imino-3-ethyl-N-(m-tolyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)C)C(=O)Nc3cccc(c3)C
InChi [?]:
InChI=1/C21H22ClN3O2S/c1-4-25-19(26)12-18(20(27)23-15-7-5-6-13(2)10-15)28-21(25)24-16-9-8-14(3)17(22)11-16/h5-11,18H,4,12H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,28,18,2,24,25,23,13,12,27,16,6,26,14,22,11,15,7,4,19,9,17,21,10,3,5,20,8/rA:28cCCNCOCCSCNCCCCCCClCCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s14;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.2446
Area:624.983
Solvation:-3.38
Coulombic:-42.6707
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:415.937
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.57
LogP (Chemaxon):5.67

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