Chemical ID: 6023625

CCCCCc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3
Chemical ID:
6023625
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(2-methoxyethyl)-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3
InChi [?]:
InChI=1/C29H35FN2O3S/c1-3-4-5-7-23-9-13-25(14-10-23)29(34)31(17-18-35-2)22-28(33)32(21-27-8-6-19-36-27)20-24-11-15-26(30)16-12-24/h6,8-16,19H,3-5,7,17-18,20-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,3,4,34,5,33,7,11,25,29,8,10,26,28,15,16,35,23,31,19,6,24,9,27,32,20,12,30,14,22,21,13,17,36/E:(9,10)(11,12)(13,14)(15,16)/rA:36nCCCCCCCCCCCCONCCOCCCONCCCCCCCFCCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s22;s31;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H35FN2O3S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.2105
Area:736.008
Solvation:-5.18966
Coulombic:-49.82
Bond Count [?]
All:38
Single:28
Double:10
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:510.664
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.94
LogP (Chemaxon):5.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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