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Chemical ID: 5921087
Chemical ID:
5921087
Name [?]:
N-[[benzo[1,3]dioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-ethoxypropyl)propanamide
SMILES [?]:
CCC(=O)N(CCCOCC)CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3c(ccs3)C
InChi [?]:
InChI=1/C24H32N2O5S/c1-4-23(27)25(10-6-11-29-5-2)16-24(28)26(15-22-18(3)9-12-32-22)14-19-7-8-20-21(13-19)31-17-30-20/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,32,2,10,7,18,19,29,6,8,30,22,16,26,12,24,28,17,20,21,27,3,13,5,15,4,14,9,25,23,31/rA:32nCCCONCCCOCCCCONCCCCCCCOCOCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s5;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;s15;s26;d27;s28;d29;s27s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O5S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0107 |
Area: | 707.699 |
Solvation: | -6.68181 |
Coulombic: | -56.5632 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 460.587 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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