Chemical ID: 6135586

Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)Cc4ccc(c(c4)OC)OC
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

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Experimental Annotations

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Descriptor Annotations

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