Chemical ID: 5921597

Cc1ccc(o1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CN(C(C)C)C(=O)c3ccc(cc3)F
Chemical ID:
5921597
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-4-fluoro-N-isopropyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CN(C(C)C)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C28H33FN2O5/c1-19(2)31(28(33)22-8-10-23(29)11-9-22)18-27(32)30(17-24-12-6-20(3)36-24)15-14-21-7-13-25(34-4)26(16-21)35-5/h6-13,16,19H,14-15,17-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:26,27,1,20,18,3,12,31,35,32,34,4,13,10,9,16,7,23,25,2,11,30,33,5,14,15,21,28,36,8,24,22,29,19,17,6/E:(1,2)(8,9)(10,11)/rA:36nCCCCCOCNCCCCCCCCOCOCCOCNCCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;d21;s21;s23;s24;s25;s25;s24;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H33FN2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.86262
Area:708.8
Solvation:-8.85739
Coulombic:-58.0021
Bond Count [?]
All:38
Single:28
Double:10
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:496.57
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.0
LogP (Chemaxon):3.52

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Descriptor Annotations

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