Chemical ID: 6890735

Cc1c2c(ncn(c2=O)CCc3ccccc3)sc1C(=O)OCCOC
Chemical ID:
6890735
Name [?]:
2-methoxyethyl 9-methyl-2-oxo-3-phenethyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
Cc1c2c(ncn(c2=O)CCc3ccccc3)sc1C(=O)OCCOC
InChi [?]:
InChI=1/C19H20N2O4S/c1-13-15-17(26-16(13)19(23)25-11-10-24-2)20-12-21(18(15)22)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,15,14,16,13,17,11,10,24,23,6,2,12,3,19,4,8,20,5,7,9,21,25,22,18/E:(4,5)(6,7)/rA:26nCCCCNCNCOCCCCCCCCSCCOOCCOC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;s11;s12;d13;s14;d15;d12s16;s4;d2s18;s19;d20;s20;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O4S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2496
Area:596.979
Solvation:-4.67484
Coulombic:-50.2602
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.439
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.54
LogP (Chemaxon):2.59

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Descriptor Annotations

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