Chemical ID: 5909761

Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CC=C)C(=O)Cc4ccccc4
Chemical ID:
5909761
Name [?]:
2-[allyl-(2-phenylacetyl)-amino]-N-(benzo[1,3]dioxol-5-ylmethyl)-N-[(5-methyl-2-furyl)methyl]acetamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CC=C)C(=O)Cc4ccccc4
InChi [?]:
InChI=1/C27H28N2O5/c1-3-13-28(26(30)15-21-7-5-4-6-8-21)18-27(31)29(17-23-11-9-20(2)34-23)16-22-10-12-24-25(14-22)33-19-32-24/h3-12,14H,1,13,15-19H2,2H3
InChi Info:
AuxInfo=1/0/N:25,1,24,32,31,33,30,34,3,11,4,12,23,15,28,9,7,21,17,2,29,10,5,13,14,26,19,22,8,27,20,18,16,6/E:(5,6)(7,8)/rA:34nCCCCCOCNCCCCCCCOCOCOCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;d24;s22;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.2553
Area:712.284
Solvation:-6.55182
Coulombic:-57.4229
Bond Count [?]
All:37
Single:26
Double:11
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:460.522
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.42
LogP (Chemaxon):3.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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