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Chemical ID: 5187377

CCOc1ccc(cc1)c2c(sc3c2c(=O)n(cn3)CC(=O)Nc4ccccc4OC)C

Chemical ID:

5187377

Name [?]:

2-[7-(4-ethoxyphenyl)-8-methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-N-(2-methoxyphenyl)-acetamide

SMILES [?]:

CCOc1ccc(cc1)c2c(sc3c2c(=O)n(cn3)CC(=O)Nc4ccccc4OC)C

InChi [?]:

InChI=1/C24H23N3O4S/c1-4-31-17-11-9-16(10-12-17)21-15(2)32-23-22(21)24(29)27(14-25-23)13-20(28)26-18-7-5-6-8-19(18)30-3/h5-12,14H,4,13H2,1-3H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,32,31,2,26,27,25,28,6,8,5,9,20,18,11,7,4,24,29,21,10,14,13,15,19,23,17,22,16,30,3,12/E:(9,10)(11,12)/rA:32nCCOCCCCCCCCSCCCONCNCCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s14;d15;s15;s17;s13d18;s17;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s30;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8103
Area:	673.203
Solvation:	-6.01983
Coulombic:	-57.5784

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	449.523
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.89
LogP (Chemaxon):	3.56

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value