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Chemical ID: 6135468

c1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccccc3)C(=O)Nc4ccccc4

Chemical ID:

6135468

Name [?]:

3-benzyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide

SMILES [?]:

c1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccccc3)C(=O)Nc4ccccc4

InChi [?]:

InChI=1/C24H21N3O2S/c28-22-16-21(23(29)25-19-12-6-2-7-13-19)30-24(26-20-14-8-3-9-15-20)27(22)17-18-10-4-1-5-11-18/h1-15,21H,16-17H2,(H,25,29)

InChi Info:

AuxInfo=1/1/N:1,28,19,2,6,27,29,18,20,3,5,26,30,17,21,11,7,4,25,16,12,9,22,14,24,15,8,10,23,13/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCCCCCNCOCCSCNCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s8s13;w14;s15;s16;d17;s18;d19;d16s20;s12;d22;s22;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁N₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.8473
Area:	619.148
Solvation:	-3.6314
Coulombic:	-44.8996

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	415.509
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.57
LogP (Chemaxon):	5.65

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value