Chemical ID: 6135890

CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)Cl)S1)CCc3ccccc3
Chemical ID:
6135890
Name [?]:
2-(4-chlorophenyl)imino-N-ethyl-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)Cl)S1)CCc3ccccc3
InChi [?]:
InChI=1/C21H22ClN3O2S/c1-2-23-20(27)18-14-19(26)25(13-12-15-6-4-3-5-7-15)21(28-18)24-17-10-8-16(22)9-11-17/h3-11,18H,2,12-14H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,28,15,17,14,18,22,21,7,23,16,13,6,8,4,11,19,3,12,10,9,5,20/E:(4,5)(6,7)(8,9)(10,11)/rA:28cCCNCOCCCONCNCCCCCCClSCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s6s11;s10;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.0455
Area:618.288
Solvation:-3.41174
Coulombic:-44.3655
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:415.937
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.21
LogP (Chemaxon):4.6

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Descriptor Annotations

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