Chemical ID: 6042774

CCCN(CCC)C(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C
Chemical ID:
6042774
Name [?]:
5-[(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N,N-dipropyl-furan-2-carboxamide
SMILES [?]:
CCCN(CCC)C(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C
InChi [?]:
InChI=1/C21H26N2O4/c1-4-10-22(11-5-2)21(25)19-9-7-16(27-19)13-23-17-12-15(3)6-8-18(17)26-14-20(23)24/h6-9,12H,4-5,10-11,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,27,2,6,20,12,21,11,3,5,18,15,24,19,13,17,22,10,25,8,4,16,26,9,23,14/E:(1,2)(4,5)(10,11)/rA:27nCCCNCCCCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s10s13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s16s24;d25;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.379
Area:565.752
Solvation:-3.76476
Coulombic:-51.7764
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:370.442
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.76
LogP (Chemaxon):2.32

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Descriptor Annotations

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