Chemical ID: 6153270

CCN1C(=O)CC(SC1=Nc2ccc(c(c2)C)C)C(=O)Nc3ccccc3Cl
Chemical ID:
6153270
Name [?]:
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(c(c2)C)C)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C21H22ClN3O2S/c1-4-25-19(26)12-18(20(27)24-17-8-6-5-7-16(17)22)28-21(25)23-15-10-9-13(2)14(3)11-15/h5-11,18H,4,12H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,18,17,2,25,24,26,23,13,12,16,6,14,15,11,27,22,7,4,19,9,28,10,21,3,5,20,8/rA:28cCCNCOCCSCNCCCCCCCCCONCCCCCCCl/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.4182
Area:621.789
Solvation:-3.12652
Coulombic:-43.3802
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:3.78
LogP (Chemaxon):5.02

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Descriptor Annotations

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