Chemical ID: 6023151

CCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)N(Cc2ccc3c(c2)OCO3)Cc4cccs4
Chemical ID:
6023151
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-4-ethyl-N-(3-methoxypropyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)N(Cc2ccc3c(c2)OCO3)Cc4cccs4
InChi [?]:
InChI=1/C28H32N2O5S/c1-3-21-7-10-23(11-8-21)28(32)29(13-5-14-33-2)19-27(31)30(18-24-6-4-15-36-24)17-22-9-12-25-26(16-22)35-20-34-25/h4,6-12,15-16H,3,5,13-14,17-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,34,13,33,4,8,23,5,7,24,12,14,35,27,21,31,17,29,3,22,6,32,25,26,18,9,11,20,19,10,15,30,28,36/E:(7,8)(10,11)/rA:36nCCCCCCCCCONCCCOCCCONCCCCCCCOCOCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s11;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25s29;s20;s31;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N2O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.5492
Area:725.023
Solvation:-6.57636
Coulombic:-60.1475
Bond Count [?]
All:39
Single:29
Double:10
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:508.63
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.19
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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