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Chemical ID: 6770894

Cc1c2c(ncn(c2=O)CC(=O)Nc3ccccc3OC)sc1C(=O)Nc4cccc(c4)OC

Chemical ID:

6770894

Name [?]:

N-(3-methoxyphenyl)-3-[(2-methoxyphenyl)carbamoylmethyl]-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxamide

SMILES [?]:

Cc1c2c(ncn(c2=O)CC(=O)Nc3ccccc3OC)sc1C(=O)Nc4cccc(c4)OC

InChi [?]:

InChI=1/C24H22N4O5S/c1-14-20-23(34-21(14)22(30)26-15-7-6-8-16(11-15)32-2)25-13-28(24(20)31)12-19(29)27-17-9-4-5-10-18(17)33-3/h4-11,13H,12H2,1-3H3,(H,26,30)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,34,21,16,17,29,28,30,15,18,32,10,6,2,27,31,14,19,11,3,23,24,4,8,5,26,13,7,12,25,9,33,20,22/rA:34nCCCCNCNCOCCONCCCCCCOCSCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s4;d2s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂N₄O₅S
All Atoms:	56
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8244
Area:	701.685
Solvation:	-6.71773
Coulombic:	-77.8141

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	478.521
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	1.46
LogP (Chemaxon):	2.81

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