Chemical ID: 5909765

Cc1ccc(cc1)C(=O)N(CC=C)CC(=O)N(Cc2ccc3c(c2)OCO3)Cc4ccc(o4)C
Chemical ID:
5909765
Name [?]:
N-allyl-N-[[benzo[1,3]dioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC=C)CC(=O)N(Cc2ccc3c(c2)OCO3)Cc4ccc(o4)C
InChi [?]:
InChI=1/C27H28N2O5/c1-4-13-28(27(31)22-9-5-19(2)6-10-22)17-26(30)29(16-23-11-7-20(3)34-23)15-21-8-12-24-25(14-21)33-18-32-24/h4-12,14H,1,13,15-18H2,2-3H3
InChi Info:
AuxInfo=1/0/N:13,1,34,12,3,7,31,20,4,6,30,21,11,24,18,28,14,26,2,32,19,5,29,22,23,15,8,10,17,16,9,27,25,33/E:(5,6)(9,10)/rA:34nCCCCCCCCONCCCCCONCCCCCCCOCOCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s10;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22s26;s17;s28;d29;s30;d31;s29s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.945
Area:660.727
Solvation:-5.57323
Coulombic:-59.3446
Bond Count [?]
All:37
Single:26
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:460.522
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.05
LogP (Chemaxon):3.77

Name Annotations

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Descriptor Annotations

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