Chemical ID: 6883162

Cc1c2c(ncn(c2=O)CC(=O)N3CCOCC3)sc1C(=O)OCC(C)C
Chemical ID:
6883162
Name [?]:
isobutyl 9-methyl-3-(morpholinocarbonylmethyl)-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
Cc1c2c(ncn(c2=O)CC(=O)N3CCOCC3)sc1C(=O)OCC(C)C
InChi [?]:
InChI=1/C18H23N3O5S/c1-11(2)9-26-18(24)15-12(3)14-16(27-15)19-10-21(17(14)23)8-13(22)20-4-6-25-7-5-20/h10-11H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:26,27,1,14,18,15,17,10,24,6,25,2,11,3,20,4,8,21,5,13,7,12,9,22,16,23,19/E:(1,2)(4,5)(6,7)/rA:27nCCCCNCNCOCCONCCOCCSCCOOCCCC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s4;d2s19;s20;d21;s21;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O5S
All Atoms:50
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.64646
Area:601.371
Solvation:-5.38782
Coulombic:-64.7106
Bond Count [?]
All:29
Single:23
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.458
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:-0.15
LogP (Chemaxon):0.77

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Descriptor Annotations

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