Chemical ID: 6136148

COc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)Cc4ccc(cc4)Cl
Chemical ID:
6136148
Name [?]:
2-(3-chlorophenyl)imino-3-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C25H21Cl2N3O3S/c1-33-21-11-9-19(10-12-21)28-24(32)22-14-23(31)30(15-16-5-7-17(26)8-6-16)25(34-22)29-20-4-2-3-18(27)13-20/h2-13,22H,14-15H2,1H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,29,33,30,32,5,7,4,8,24,13,27,28,31,23,6,19,3,12,14,10,17,34,25,9,18,16,15,11,2,26/E:(5,6)(7,8)(9,10)(11,12)/rA:34cCOCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s12s17;s16;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21Cl2N3O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.2866
Area:727.442
Solvation:-4.89943
Coulombic:-51.0803
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:514.424
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.73
LogP (Chemaxon):6.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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