Chemical ID: 6203820

CCCCNC(=O)CNC(=O)Cn1cnc2c(c1=O)c(c(s2)C)C
Chemical ID:
6203820
Name [?]:
N-butyl-2-[2-(7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)acetyl]amino-acetamide
SMILES [?]:
CCCCNC(=O)CNC(=O)Cn1cnc2c(c1=O)c(c(s2)C)C
InChi [?]:
InChI=1/C16H22N4O3S/c1-4-5-6-17-12(21)7-18-13(22)8-20-9-19-15-14(16(20)23)10(2)11(3)24-15/h9H,4-8H2,1-3H3,(H,17,21)(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,2,3,4,8,12,14,20,21,6,10,17,16,18,5,9,15,13,7,11,19,22/rA:24nCCCCNCOCNCOCNCNCCCOCCSCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N4O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7208
Area:586.689
Solvation:-3.94645
Coulombic:-63.163
Bond Count [?]
All:25
Single:19
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.437
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.12
LogP (Chemaxon):0.48

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