Chemical ID: 4849523

CCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)OC)S2)CC
Chemical ID:
4849523
Name [?]:
3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)OC)S2)CC
InChi [?]:
InChI=1/C23H27N3O4S/c1-4-14-30-19-12-8-16(9-13-19)24-22(28)20-15-21(27)26(5-2)23(31-20)25-17-6-10-18(29-3)11-7-17/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,31,28,2,30,22,26,7,9,23,25,6,10,3,15,8,21,24,5,14,16,12,19,11,20,18,17,13,27,4,29/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCCCOCCCCCCNCOCCCONCNCCCCCCOCSCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s27;s14s19;s18;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.1574
Area:679.83
Solvation:-5.83831
Coulombic:-55.9926
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:441.544
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.89
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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