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Chemical ID: 6136605
Chemical ID:
6136605
Name [?]:
2-(3-chlorophenyl)imino-N-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)N=C2N(C(=O)CC(S2)C(=O)Nc3ccc(cc3)F)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C24H18ClF2N3O2S/c25-16-2-1-3-20(12-16)29-24-30(14-15-4-6-17(26)7-5-15)22(31)13-21(33-24)23(32)28-19-10-8-18(27)9-11-19/h1-12,21H,13-14H2,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,6,2,28,32,29,31,21,23,20,24,4,13,26,27,5,30,22,19,3,14,11,16,9,7,33,25,18,8,10,12,17,15/E:(4,5)(6,7)(8,9)(10,11)/rA:33cCCCCCCClNCNCOCCSCONCCCCCCFCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s11;s13;s9s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s10;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18ClF2N3O2S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.45 |
Area: | 669.009 |
Solvation: | -5.27523 |
Coulombic: | -50.643 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 485.934 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.51 |
LogP (Chemaxon): | 6.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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