Chemical ID: 5175153

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCN(C)C)O
Chemical ID:
5175153
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-propoxybenzoyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCN(C)C)O
InChi [?]:
InChI=1/C23H27N3O4/c1-4-14-30-18-7-5-6-17(15-18)21(27)19-20(16-8-10-24-11-9-16)26(13-12-25(2)3)23(29)22(19)28/h5-11,15,20,28H,4,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,7,8,6,20,24,21,23,26,25,3,10,19,9,5,13,18,11,14,15,22,27,17,12,30,16,4/E:(2,3)(8,9)(10,11)/rA:30cCCCOCCCCCCCOCCCONCCCCNCCCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s17;s25;s26;s27;s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.4165
Area:662.672
Solvation:-6.15036
Coulombic:-58.9888
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:409.478
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.5
LogP (Chemaxon):-1.07

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Descriptor Annotations

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