Chemical ID: 6152620

CCOc1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3ccc(cc3)OC)C
Chemical ID:
6152620
Name [?]:
2-(4-ethoxyphenyl)imino-N-(4-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCOc1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C21H23N3O4S/c1-4-28-17-11-7-15(8-12-17)23-21-24(2)19(25)13-18(29-21)20(26)22-14-5-9-16(27-3)10-6-14/h5-12,18H,4,13H2,1-3H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,29,28,2,22,26,6,8,23,25,5,9,15,21,7,24,4,16,13,18,11,20,10,12,14,19,27,3,17/E:(5,6)(7,8)(9,10)(11,12)/rA:29cCCOCCCCCCNCNCOCCSCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s11s16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.78276
Area:630.466
Solvation:-5.9789
Coulombic:-55.2242
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:413.491
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.11
LogP (Chemaxon):3.71

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Descriptor Annotations

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