Chemical ID: 6016322

c1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)N(Cc3ccc4c(c3)OCO4)Cc5ccco5
Chemical ID:
6016322
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)N(Cc3ccc4c(c3)OCO4)Cc5ccco5
InChi [?]:
InChI=1/C28H31N3O6/c32-27(20-30(11-10-29-12-15-34-16-13-29)28(33)23-5-2-1-3-6-23)31(19-24-7-4-14-35-24)18-22-8-9-25-26(17-22)37-21-36-25/h1-9,14,17H,10-13,15-16,18-21H2
InChi Info:
AuxInfo=1/0/N:1,2,6,35,3,5,34,24,25,11,10,13,17,36,14,16,28,22,32,18,30,23,4,33,26,27,19,7,12,9,21,20,8,15,37,31,29/E:(2,3)(5,6)(12,13)(15,16)/rA:37nCCCCCCCONCCNCCOCCCCONCCCCCCCOCOCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;s15;s12s16;s9;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26s30;s21;s32;d33;s34;d35;s33s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H31N3O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:10.1639
Area:731.562
Solvation:-8.12512
Coulombic:-70.2589
Bond Count [?]
All:41
Single:31
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:505.562
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.21
LogP (Chemaxon):2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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