Chemical ID: 6135073

Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)CCc4ccccc4
Chemical ID:
6135073
Name [?]:
N-(2,4-dimethylphenyl)-4-oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)CCc4ccccc4
InChi [?]:
InChI=1/C27H27N3O2S/c1-19-13-14-23(20(2)17-19)29-26(32)24-18-25(31)30(16-15-21-9-5-3-6-10-21)27(33-24)28-22-11-7-4-8-12-22/h3-14,17,24H,15-16,18H2,1-2H3,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,8,31,22,30,32,21,23,29,33,20,24,3,4,27,26,7,13,2,6,28,19,5,12,14,10,17,18,9,16,15,11,25/E:(5,6)(7,8)(9,10)(11,12)/rA:33cCCCCCCCCNCOCCCONCNCCCCCCSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s12s17;s16;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H27N3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.3539
Area:680.836
Solvation:-3.66705
Coulombic:-44.6801
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:457.588
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.39
LogP (Chemaxon):6.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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