Chemical ID: 5774204

CN1C(=O)CC(SC1=Nc2ccccc2OC)C(=O)NCCc3ccccc3
Chemical ID:
5774204
Name [?]:
2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenethyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccccc2OC)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C21H23N3O3S/c1-24-19(25)14-18(20(26)22-13-12-15-8-4-3-5-9-15)28-21(24)23-16-10-6-7-11-17(16)27-2/h3-11,18H,12-14H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,17,26,25,27,12,13,24,28,11,14,22,21,5,23,10,15,6,3,18,8,20,9,2,4,19,16,7/E:(4,5)(8,9)/rA:28cCNCOCCSCNCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s16;s6;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.3633
Area:621.191
Solvation:-5.16642
Coulombic:-50.6709
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:397.492
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.08
LogP (Chemaxon):3.49

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Descriptor Annotations

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