Chemical ID: 6839921

CCOC(=O)c1c(c2c(s1)ncn(c2=O)CC(=O)c3ccc(cc3)C)C
Chemical ID:
6839921
Name [?]:
ethyl 9-methyl-2-oxo-3-[2-oxo-2-(p-tolyl)ethyl]-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(s1)ncn(c2=O)CC(=O)c3ccc(cc3)C)C
InChi [?]:
InChI=1/C19H18N2O4S/c1-4-25-19(24)16-12(3)15-17(26-16)20-10-21(18(15)23)9-14(22)13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,2,21,23,20,24,16,12,22,7,19,17,8,6,9,14,4,11,13,18,15,5,3,10/E:(5,6)(7,8)/rA:26nCCOCOCCCCSNCNCOCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;d11;s12;s8s13;d14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5922
Area:584.673
Solvation:-4.02459
Coulombic:-49.6736
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.423
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.04
LogP (Chemaxon):2.6

Name Annotations

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Descriptor Annotations

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