Chemical ID: 7315675

CC1CCC(CC1)NC(=O)CN2C(=O)C3(CCCc4c3cccc4)NC2=O
Chemical ID:
7315675
Name [?]:
None
SMILES [?]:
CC1CCC(CC1)NC(=O)CN2C(=O)C3(CCCc4c3cccc4)NC2=O
InChi [?]:
InChI=1/C21H27N3O3/c1-14-8-10-16(11-9-14)22-18(25)13-24-19(26)21(23-20(24)27)12-4-6-15-5-2-3-7-17(15)21/h2-3,5,7,14,16H,4,6,8-13H2,1H3,(H,22,25)(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,23,22,17,24,18,21,3,7,4,6,16,11,2,19,5,20,9,13,26,15,8,25,12,10,14,27/E:(8,9)(10,11)/rA:27cCCCCCCCNCOCNCOCCCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;d20;s21;d22;d19s23;s15;s12s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O3
All Atoms:54
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.9524
Area:572.491
Solvation:-3.35991
Coulombic:-62.6041
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:369.457
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.77
LogP (Chemaxon):2.34

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Descriptor Annotations

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