Chemical ID: 4699542

CC1(C(=O)Nc2c(cccn2)O1)C(=O)NCCCN3CCOCC3
Chemical ID:
4699542
Name [?]:
8-methyl-N-(3-morpholinopropyl)-9-oxo-7-oxa-2,10-diazabicyclo[4.4.0]deca-1,3,5-triene-8-carboxamide
SMILES [?]:
CC1(C(=O)Nc2c(cccn2)O1)C(=O)NCCCN3CCOCC3
InChi [?]:
InChI=1/C16H22N4O4/c1-16(15(22)19-13-12(24-16)4-2-5-17-13)14(21)18-6-3-7-20-8-10-23-11-9-20/h2,4-5H,3,6-11H2,1H3,(H,18,21)(H,17,19,22)
InChi Info:
AuxInfo=1/1/N:1,9,17,8,10,16,18,20,24,21,23,7,6,13,3,2,11,15,5,19,14,4,22,12/E:(8,9)(10,11)/rA:24cCCCONCCCCCNOCONCCCNCCOCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s7;s2;d13;s13;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N4O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.61698
Area:531.204
Solvation:-4.66311
Coulombic:-70.5014
Bond Count [?]
All:26
Single:21
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.37
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-0.51
LogP (Chemaxon):-0.53

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