Chemical ID: 6136626

c1ccc(c(c1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)Cc4ccc(cc4)F)Cl
Chemical ID:
6136626
Name [?]:
N-(2-chlorophenyl)-2-(3-chlorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)Cc4ccc(cc4)F)Cl
InChi [?]:
InChI=1/C24H18Cl2FN3O2S/c25-16-4-3-5-18(12-16)28-24-30(14-15-8-10-17(27)11-9-15)22(31)13-21(33-24)23(32)29-20-7-2-1-6-19(20)26/h1-12,21H,13-14H2,(H,29,32)
InChi Info:
AuxInfo=1/1/N:2,1,19,20,18,3,6,27,31,28,30,22,11,25,26,21,29,17,4,5,10,12,8,15,23,33,32,16,7,14,13,9,24/E:(8,9)(10,11)/rA:33cCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s10s15;s14;s25;s26;d27;s28;d29;d26s30;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18Cl2FN3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.0541
Area:689.218
Solvation:-4.17632
Coulombic:-48.6168
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:502.389
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.97
LogP (Chemaxon):6.18

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Descriptor Annotations

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