Chemical ID: 4852977

COc1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)N)Cc3ccccc3
Chemical ID:
4852977
Name [?]:
3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)N)Cc3ccccc3
InChi [?]:
InChI=1/C19H19N3O3S/c1-25-15-9-7-14(8-10-15)21-19-22(12-13-5-3-2-4-6-13)17(23)11-16(26-19)18(20)24/h2-10,16H,11-12H2,1H3,(H2,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,5,7,4,8,14,20,21,6,3,15,12,17,10,19,9,11,13,18,2,16/E:(3,4)(5,6)(7,8)(9,10)/rA:26cCOCCCCCCNCNCOCCSCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s10s15;s15;d17;s17;s11;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.02543
Area:553.286
Solvation:-4.80672
Coulombic:-54.2852
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:369.439
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.4
LogP (Chemaxon):2.99

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