Chemical ID: 6153126

CCN1C(=O)CC(SC1=Nc2cccc(c2)OC)C(=O)Nc3ccccc3Cl
Chemical ID:
6153126
Name [?]:
N-(2-chlorophenyl)-3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2cccc(c2)OC)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C20H20ClN3O3S/c1-3-24-18(25)12-17(19(26)23-16-10-5-4-9-15(16)21)28-20(24)22-13-7-6-8-14(11-13)27-2/h4-11,17H,3,12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,18,2,25,24,13,12,14,26,23,16,6,11,15,27,22,7,4,19,9,28,10,21,3,5,20,17,8/rA:28cCCNCOCCSCNCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.9762
Area:617.989
Solvation:-4.47353
Coulombic:-49.9041
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:417.91
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.82
LogP (Chemaxon):3.83

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Descriptor Annotations

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