Chemical ID: 6135213

COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)OC)C(=O)Nc4ccccc4
Chemical ID:
6135213
Name [?]:
2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)OC)C(=O)Nc4ccccc4
InChi [?]:
InChI=1/C26H25N3O4S/c1-32-21-12-8-18(9-13-21)17-29-24(30)16-23(25(31)27-19-6-4-3-5-7-19)34-26(29)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:1,25,32,31,33,30,34,5,7,19,23,4,8,20,22,13,9,6,29,18,3,21,14,11,26,16,28,17,10,12,27,2,24,15/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34cCOCCCCCCCNCOCCSCNCCCCCCOCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s10s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s14;d26;s26;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:11.0822
Area:695.675
Solvation:-6.30963
Coulombic:-57.1159
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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