Chemical ID: 6770486

Cc1c2c(ncn(c2=O)Cc3ccccc3Cl)sc1C(=O)NCC(=O)OC
Chemical ID:
6770486
Name [?]:
methyl 2-[[3-[(2-chlorophenyl)methyl]-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-8-yl]carbonylamino]acetate
SMILES [?]:
Cc1c2c(ncn(c2=O)Cc3ccccc3Cl)sc1C(=O)NCC(=O)OC
InChi [?]:
InChI=1/C18H16ClN3O4S/c1-10-14-17(27-15(10)16(24)20-7-13(23)26-2)21-9-22(18(14)25)8-11-5-3-4-6-12(11)19/h3-6,9H,7-8H2,1-2H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,27,13,14,12,15,23,10,6,2,11,16,24,3,19,20,4,8,17,22,5,7,25,21,9,26,18/rA:27nCCCCNCNCOCCCCCCCClSCCONCCOOC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;s11;d12;s13;d14;d11s15;s16;s4;d2s18;s19;d20;s20;s22;s23;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3O4S
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.394
Area:590.521
Solvation:-3.36899
Coulombic:-63.7791
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.856
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.36
LogP (Chemaxon):1.94

Name Annotations

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Descriptor Annotations

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