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Chemical ID: 6135586
Chemical ID:
6135586
Name [?]:
3-[(3,4-dimethoxyphenyl)methyl]-N-(m-tolyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)Cc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C27H27N3O4S/c1-18-8-7-11-21(14-18)28-26(32)24-16-25(31)30(27(35-24)29-20-9-5-4-6-10-20)17-19-12-13-22(33-2)23(15-19)34-3/h4-15,24H,16-17H2,1-3H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,35,33,21,20,22,4,3,19,23,5,27,28,7,31,12,25,2,26,18,6,29,30,11,13,9,16,8,17,15,14,10,34,32,24/E:(5,6)(9,10)/rA:35cCCCCCCCNCOCCCONCNCCCCCCSCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s11s16;s15;s25;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H27N3O4S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9094 |
Area: | 711.15 |
Solvation: | -6.86934 |
Coulombic: | -57.3297 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 489.587 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.57 |
LogP (Chemaxon): | 5.61 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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