Chemical ID: 4849170

COc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)OC)S2)Cc4ccccc4
Chemical ID:
4849170
Name [?]:
3-benzyl-N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)OC)S2)Cc4ccccc4
InChi [?]:
InChI=1/C26H25N3O4S/c1-32-21-12-8-19(9-13-21)27-25(31)23-16-24(30)29(17-18-6-4-3-5-7-18)26(34-23)28-20-10-14-22(33-2)15-11-20/h3-15,23H,16-17H2,1-2H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,26,32,31,33,30,34,5,7,20,24,4,8,21,23,13,28,29,6,19,3,22,12,14,10,17,9,18,16,15,11,2,25,27/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34cCOCCCCCCNCOCCCONCNCCCCCCOCSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s12s17;s16;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25N3O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.0965
Area:694.983
Solvation:-6.27811
Coulombic:-57.0141
Bond Count [?]
All:37
Single:25
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:475.561
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.4
LogP (Chemaxon):5.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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