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Chemical ID: 7368971

Cc1c2c(=O)[nH]c(nc2sc1C(=O)C)CN(C)CC(=O)Nc3cc(ccc3OC)Cl

Chemical ID:

7368971

Name [?]:

2-[(8-acetyl-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-4-yl)methyl-methyl-amino]-N-(5-chloro-2-methoxy-phenyl)-acetamide

SMILES [?]:

Cc1c2c(=O)[nH]c(nc2sc1C(=O)C)CN(C)CC(=O)Nc3cc(ccc3OC)Cl

InChi [?]:

InChI=1/C20H21ClN4O4S/c1-10-17-19(28)23-15(24-20(17)30-18(10)11(2)26)8-25(3)9-16(27)22-13-7-12(21)5-6-14(13)29-4/h5-7H,8-9H2,1-4H3,(H,22,27)(H,23,24,28)

InChi Info:

AuxInfo=1/1/N:1,14,17,29,25,26,23,15,18,2,12,24,22,27,7,19,3,11,4,9,30,21,6,8,16,13,20,5,28,10/rA:30cCCCCONCNCSCCOCCNCCCONCCCCCCOCCl/rB:s1;s2;s3;d4;s4;s6;d7;d3s8;s9;d2s10;s11;d12;s12;s7;s15;s16;s16;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁ClN₄O₄S
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.498
Area:	663.925
Solvation:	-6.10015
Coulombic:	-65.2476

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	448.924
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.66
LogP (Chemaxon):	1.73

Name Annotations

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

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