Chemical ID: 6152742

CCN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3ccc(cc3)I
Chemical ID:
6152742
Name [?]:
3-ethyl-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3ccc(cc3)I
InChi [?]:
InChI=1/C19H18IN3O2S/c1-2-23-17(24)12-16(18(25)21-15-10-8-13(20)9-11-15)26-19(23)22-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,22,24,21,25,6,23,11,20,7,4,17,9,26,19,10,3,5,18,8/E:(4,5)(6,7)(8,9)(10,11)/rA:26cCCNCOCCSCNCCCCCCCONCCCCCCI/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s7;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18IN3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.622
Area:596.068
Solvation:-3.27971
Coulombic:-42.7986
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:479.336
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.35
LogP (Chemaxon):5.21

Name Annotations

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Descriptor Annotations

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