Chemical ID: 5973083

CC1CCCCN1CCCNC(=O)CN2c3cc(ccc3OCC2=O)C(=O)C
Chemical ID:
5973083
Name [?]:
2-(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-[3-(2-methyl-1-piperidyl)propyl]acetamide
SMILES [?]:
CC1CCCCN1CCCNC(=O)CN2c3cc(ccc3OCC2=O)C(=O)C
InChi [?]:
InChI=1/C21H29N3O4/c1-15-6-3-4-10-23(15)11-5-9-22-20(26)13-24-18-12-17(16(2)25)7-8-19(18)28-14-21(24)27/h7-8,12,15H,3-6,9-11,13-14H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,28,4,5,9,3,19,20,10,6,8,17,14,23,2,26,18,16,21,12,24,11,7,15,27,13,25,22/rA:28cCCCCCCNCCCNCOCNCCCCCCOCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;s18;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:10.1381
Area:619.92
Solvation:-5.35991
Coulombic:-56.7286
Bond Count [?]
All:30
Single:24
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.473
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.34
LogP (Chemaxon):0.0

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Descriptor Annotations

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